smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccccc2)cc1	143232	YAWFSJKBKHWNJB-UHFFFAOYSA-N	341.367	1.875	50	40	EDGB	
COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccncc1	59434267	IIVGMSYWQJRTDB-GIJQJNRQSA-N	332.747	1.832	50	40	EDGB	
O=C(N/N=C/[C@H]1C[C@H]2C=C[C@@H]1C2)C(=O)N/N=C/[C@@H]1C[C@@H]2C=C[C@@H]1C2	225696948	NGTNPOWMSTVRGR-VACYOGNWSA-N	326.400	1.615	50	40	EDGB	
Cc1cc(C)c(S(=O)(=O)NCC(=O)N/N=C/c2ccco2)c(C)c1	6607446	LEFMMVOLTLWQMI-RQZCQDPDSA-N	349.412	1.633	50	40	EDGB	
CCN(NC(=O)Cn1nnc2ccccc2c1=O)c1ccc(C)cc1	13985306	YCKZMGVZHZQXSJ-UHFFFAOYSA-N	337.383	1.658	50	40	EDGB	
O=C(CCCO)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1	4017995	UGIWZAMVLLCKEP-SFQUDFHCSA-N	334.376	1.808	50	40	EDGB	
O=C(NNC(=O)[C@@H]1CCCO1)c1ccc(N2CCCCCC2)nc1	75920884	RDVZVCFHIPZQEU-AWEZNQCLSA-N	332.404	1.402	50	40	EDGB	
CCCN/C(O)=N/S(=O)(=O)c1ccc(NC(=O)CCl)cc1	37407998	YHUDUQFGVNIZQD-UHFFFAOYSA-N	333.797	1.466	50	40	EDGB	
CC(C)(C)CC(=O)NNS(=O)(=O)c1onc(C2CC2)c1Cl	585119626	NQNOJRVDZFUQMD-UHFFFAOYSA-N	335.813	1.951	50	40	EDGB	
Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)CN1CCOCC1	19799604	IRDPNDQIAZJTTE-CPNJWEJPSA-N	330.432	1.378	50	40	EDGB	
O=C(N/N=C/c1ccc(O)c(O)c1O)[C@H]1COc2ccccc2O1	3232437	SIBDBMLSQNCDCP-JYINPYMRSA-N	330.296	1.094	50	40	EDGB	
CCOc1ccccc1/C=N/NC(=O)CC(=O)NCc1cccnc1	59434410	JAAXVXPUFIAGAA-FYJGNVAPSA-N	340.383	1.637	50	40	EDGB	
N#CC(C(=O)CSc1nc(N)cc(=O)[nH]1)=C1Nc2ccccc2N1	9464387	YPIBKNPEXLODCM-UHFFFAOYSA-N	340.368	1.286	50	40	EDGB	
OCC[N+]12CO[C@@H]3CCC[C@H](C[C@@H]1CI)[C@@H]32	5382662	OMTYTCOKKOZNSI-USYLUROPSA-N	338.209	1.528	50	40	EDGB	
O=C(CO)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1	1091027	QDRCTQMMPUKMOW-DJKKODMXSA-N	345.330	1.286	50	40	EDGB	
C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NNC(=O)c1cn[nH]n1	69663069	WYDWJPBKKVFGSU-LURJTMIESA-N	344.158	1.340	50	40	EDGB	
CC[C@@H](C)C(=O)NNC(=O)C1(c2ccc(OC)cc2)CCOCC1	71924145	NXEDODOKCXSAHK-CYBMUJFWSA-N	334.416	1.937	50	40	EDGB	
O=C(CCl)N1CCN(c2ccc([N+](=O)[O-])c3nonc23)CC1	85409622	MPUJSJYYOVHBPE-UHFFFAOYSA-N	325.712	1.018	50	40	EDGB	
Cc1c(C(=O)NNC(=O)[C@@H]2CC(=O)N(C3CC3)C2)oc2ccccc12	29562474	BLLCOOLJLDAPGI-LLVKDONJSA-N	341.367	1.513	50	40	EDGB	
O=S1(=O)C[C@H](NC(=S)OC[C@H](Cl)CCl)[C@@H](Cl)C1	59568594	BHUPKUYAZIKGBS-VQVTYTSYSA-N	340.681	1.128	50	40	EDGB	
O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccco1	52411113	BHHBJZOBSHCIDK-SNVBAGLBSA-N	347.758	1.747	50	40	EDGB	
Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1[nH][nH]c(=O)c1C	19825850	PBBXCWSBLREGEG-GIJQJNRQSA-N	338.371	1.578	50	40	EDGB	
C[C@@H]1[C@@H](Br)[C@@H](Br)C[C@@H](C(=O)O)[C@H]1C(=O)O	100149759	ZLBZDHSWWOYOSK-MLKOFDEISA-N	343.999	1.955	50	40	EDGB	
COCc1n[nH]c2c1[C@@]1(C(=O)Nc3ccc(F)cc31)C(C#N)=C(N)O2	4040001	BRZYCLBTMNAYQE-INIZCTEOSA-N	341.302	1.020	50	40	EDGB	
C[C@@H](C(=O)N/N=C/c1ccccn1)N(c1ccccc1)S(C)(=O)=O	408908597	WMASLKDTFTYDPR-HTMJNSLASA-N	346.412	1.386	50	40	EDGB	
COc1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc(OC)c1OC	61728	KQAIIWVYBULMFE-LZYBPNLTSA-N	349.299	1.978	50	40	EDGB	
O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1ccn[nH]1	258478	BGYKJNLUJDRHIF-PJQLUOCWSA-N	337.133	1.665	50	40	EDGB	
C[C@H](Br)C(=O)OCCOC(=O)[C@H](C)Br	1707052	OBNPDQQJYLNJPU-WDSKDSINSA-N	331.988	1.640	50	40	EDGB	
Cc1csc(CC(=O)NNC(=O)CN2CCCc3ccccc32)n1	8119070	PYCGHYMVZRUDCB-UHFFFAOYSA-N	344.440	1.594	50	40	EDGB	
Cc1csc(CC(=O)NNC(=O)CN2c3ccccc3C[C@H]2C)n1	26462631	ZCWXCJRTUFHRPR-GFCCVEGCSA-N	344.440	1.593	50	40	EDGB	
COCCNC(=O)C(=O)N/N=C\c1ccc(-c2cccc(Cl)c2)o1	4525745	IYXKHXMXAVXRJZ-GRSHGNNSSA-N	349.774	1.813	50	40	EDGB	
CSCC[C@H](N)C(=O)N/N=C/c1coc2ccc(C)cc2c1=O	5576771	JGIBALQMPJKKFZ-VFJJTOLMSA-N	333.413	1.632	50	40	EDGB	
COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc3c(c2)OCO3)cc1	6145710	HZGJOSONBYBLFY-GIJQJNRQSA-N	341.323	1.513	50	40	EDGB	
O=C(NN1C(=O)[C@@H](Cl)[C@H]1c1ccc(O)cc1)c1ccccc1O	1633522	UOGKILIVBHEGSL-UONOGXRCSA-N	332.743	1.934	50	40	EDGB	
BrCCO[C@H]1OCCO[C@@H]1OCCBr	3178239	OFJNZCVVDQGMDN-YUMQZZPRSA-N	334.004	1.508	50	40	EDGB	
CC(C)(C)C(=O)NCC(=O)NNC(=O)c1ccc(Cl)cc1Cl	29509524	MFIPRNVEPCZKCF-UHFFFAOYSA-N	346.214	1.917	50	40	EDGB	
C#CCN1C(=O)/C(=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21	101666856	DHFQGHNJEUIUSZ-MNDPQUGUSA-N	348.318	1.709	50	40	EDGB	
O=C(COCC(F)(F)F)NNC(=O)CN1CCCc2ccccc21	60606171	BUNQSEBLWMEYMO-UHFFFAOYSA-N	345.321	1.166	50	40	EDGB	
COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CNC(=O)c1ccco1	3081717	UVGWPMLYXOLDBA-CAOOACKPSA-N	346.299	1.077	50	40	EDGB	
Cn1cccc1C(=O)NNS(=O)(=O)C1=Cc2ccccc2CC1	48252803	WTBXTDWJNPBONX-UHFFFAOYSA-N	331.397	1.577	50	40	EDGB	
COc1cc(OC)cc(C(=O)NNC(=O)c2cc(OC)ccc2O)c1	14140806	ORPIYAUXLPZOMF-UHFFFAOYSA-N	346.339	1.493	50	40	EDGB	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1O)c1nn(CCO)c(N)c1C#N	408720632	ARBSTPGMCWZLRW-BJMVGYQFSA-N	340.299	1.007	50	40	EDGB	
COCCn1c(C)cc2c(c1=O)[C@@H](c1cccnc1)C(C#N)=C(N)O2	8617899	VRDXBTGSGJGWTD-HNNXBMFYSA-N	338.367	1.416	50	40	EDGB	
NNC(=O)c1ccc2[nH]c(-c3cncc(Br)c3)nc2c1	216728979	FLEWTIZARFSECD-UHFFFAOYSA-N	332.161	1.991	50	40	EDGB	
COc1cc(/C=N\NC(=O)c2ccc(C)nc2)cc([N+](=O)[O-])c1O	30803049	QABCVUOCQIIKJS-IDUWFGFVSA-N	330.300	1.776	50	40	EDGB	
C[C@H](NC(=O)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	3096345	JOJIKMUOAZECOG-HWQJWEFDSA-N	340.339	1.922	50	40	EDGB	
Cc1ccc(S(=O)(=O)NNC(=O)c2ccc(-c3ccc[nH]3)[nH]2)cc1	1721191	FNNWNTWQJREEJS-UHFFFAOYSA-N	344.396	1.942	50	40	EDGB	
O=C(CSc1ccc(O)cc1)NNC(=O)c1ccc([N+](=O)[O-])cc1	40555132	QGGPGYZGAVNAGE-UHFFFAOYSA-N	347.352	1.854	50	40	EDGB	
CCOc1ccccc1/C=N/NC(=O)C(=O)NCc1ccccc1	7812044	INFGPTCOGQNQPF-DEDYPNTBSA-N	325.368	1.852	50	40	EDGB	
O=C1NC[C@@H](c2ccccc2)[C@@H]1C(=O)N/N=C\c1ccc(O)cc1O	16102525	BUMQKMRXGCGGOR-VQTSDBRASA-N	339.351	1.078	50	40	EDGB	
C[C@H](NC(=O)c1ccco1)C(=O)N/N=c1/sc2ccccc2n1C	104924096	KNPWRDBMUDOOEI-YATOBQRVSA-N	344.396	1.583	50	40	EDGB	
COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	4703163	RFZWAPFPKMIPCH-LICLKQGHSA-N	342.311	1.692	50	40	EDGB	
CCn1c(O)c(C(=O)NNC(=O)CC(C)C)c(=O)c2ccccc21	5791806	ABZCOGQXRBGLNC-UHFFFAOYSA-N	331.372	1.534	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1	318698	UQVPTFYODHSXIT-UHFFFAOYSA-N	327.362	1.485	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccc2oc(=O)ccc2c1)C1CCCC1	29048599	HYWIEGSCEQLWGS-UHFFFAOYSA-N	336.369	1.293	50	40	EDGB	
Cc1ccnn1CC(=O)N/N=C/c1c[nH]nc1-c1ccc(F)cc1	4962932	LXAZUAXEKTZSLX-QGMBQPNBSA-N	326.335	1.871	50	40	EDGB	
COc1ccc(/C=N/NC(=O)CNC(=O)COc2ccccc2)cc1	1922239	HHDPNTYUMYEJFQ-RGVLZGJSSA-N	341.367	1.341	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccc(F)cc1)c1cc(Cl)ccc1O	199707	MSGCNQVWSNOYJZ-UHFFFAOYSA-N	344.751	1.808	50	40	EDGB	
COCCNC(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C	50080020	PBJDUNYABUNYLW-KGZWWPETSA-N	331.416	1.954	50	40	EDGB	
COc1cc(/C=N/NC(=O)C(=O)NC(C)(C)C)cc(OC)c1OC	59515964	DNEPUDUUWLWGJD-RQZCQDPDSA-N	337.376	1.077	50	40	EDGB	
CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N/Nc1ccc(Cl)cc1	101145356	RMJCYCAWTJQPSX-CPNJWEJPSA-N	332.747	1.309	50	40	EDGB	
N#C/C(=C/c1cccc(OCC(N)=O)c1)C(=O)NCc1ccccc1	409224500	KNJCGOOBCNZCSE-SXGWCWSVSA-N	335.363	1.774	50	40	EDGB	
CC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1cc2c(s1)CCCCC2	89930500	KBMGSVGYDJZUBJ-ZDUSSCGKSA-N	349.456	1.789	50	40	EDGB	
C/C(=N/NC(=O)CNC(=O)[C@@H]1COc2ccccc2O1)c1ccco1	13142064	XBGOHECTZPXMRK-VUQQOUJSSA-N	343.339	1.076	50	40	EDGB	
CCOC(=O)/C(C#N)=C1/S[C@H](CCO)C(=O)N1c1ccccc1	554877	QOUYCVPVIJHRFS-MLJWKTOOSA-N	332.381	1.816	50	40	EDGB	
CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2ccccc2)cc1	143317	PNYMNCCNFOITOU-UHFFFAOYSA-N	333.369	1.268	50	40	EDGB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)C(C)C)c1	12946071	AKBOWGQIPYSDND-UHFFFAOYSA-N	341.433	1.134	50	40	EDGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)n1	7778926	LDQZQBWUVRNUQM-MKMNVTDBSA-N	335.345	1.837	50	40	EDGB	
Cc1cc(C(=O)NNS(=O)(=O)c2ccc(F)c(F)c2)c(C)o1	16149711	LUSQNNDKBKLPNH-UHFFFAOYSA-N	330.312	1.798	50	40	EDGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1ccc(O)cc1O	409359202	ABBBHWIDTHNUCO-ZDLGFXPLSA-N	328.324	1.562	50	40	EDGB	
NC(=O)N/N=C1\C(=O)N(CCCOc2ccccc2)c2ccccc21	46085186	SQAQZZUKHVPIEO-SILNSSARSA-N	338.367	1.875	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccc2nc(O)sc2c1)C1CCC1	585119578	LUFZENYGEJPSKT-UHFFFAOYSA-N	327.387	1.112	50	40	EDGB	
CN(NC(=O)/C=C/c1ccccc1)C1=NS(=O)(=O)c2ccccc21	208557	WSSGAJDOTPURPP-VAWYXSNFSA-N	341.392	1.812	50	40	EDGB	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)Nc1ccc(F)cc12	809464	STJMLUSEZLWLDK-INIZCTEOSA-N	329.287	1.187	50	40	EDGB	
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN)cc1	6214099	BFLFDXJXSCQYPW-UHFFFAOYSA-N	347.440	1.218	50	40	EDGB	
COc1cccc(OC)c1/C=N/NC(=O)C(=O)NC1CCCCC1	6583657	WRDMYOWAMJOKQR-WOJGMQOQSA-N	333.388	1.603	50	40	EDGB	
O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Oc1ccc([N+](=O)[O-])cc1	102401081	HNXMEOHZYXOHGC-OKILXGFUSA-N	344.323	1.842	50	40	EDGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1O)c1cc(O)c(O)c(O)c1	33861498	OYTHYAAUUMPLGC-UUASQNMZSA-N	333.256	1.181	50	40	EDGB	
CCc1cc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cs1	8199715	GYZCOMSSBIXYIP-PSJXJDHFSA-N	336.413	1.818	50	40	EDGB	
CCOc1ccccc1[C@H]1C(C#N)=C(S)NC(=O)[C@@H]1C(=O)OC	127709	XOZPMVQVWPEEBG-QWHCGFSZSA-N	332.381	1.753	50	40	EDGB	
O=C(COC(=O)/C=C/c1cccs1)NNC(=O)c1ccccc1F	2635176	FNNWHQJXEKGRRV-BQYQJAHWSA-N	348.355	1.905	50	40	EDGB	
O=C(NP(=O)(N1CCOCC1)N1CCOCC1)c1ccccc1	89469082	JYBIHLSIPNWNII-UHFFFAOYSA-N	339.332	1.189	50	40	EDGB	
O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1ccc(O)cc1O	2240310	BYDMKCHWRAGTOW-UFWORHAWSA-N	331.303	1.117	50	40	EDGB	
O=C(CSc1nc2ccccc2s1)NNC(=O)[C@H]1CCCO1	3404564	MGRYHLPTHQSTQK-SNVBAGLBSA-N	337.426	1.715	50	40	EDGB	
C/C(CC(=O)NC(C)(C)C)=N\NC(=O)C(=O)Nc1ccc(C)cc1	4690757	NBDDKZHZFXRTAD-UDWIEESQSA-N	332.404	1.730	50	40	EDGB	
CCOC(=O)c1nc2c([nH]1)OC(N)=C(C#N)[C@@H]2c1cccc(F)c1	5686415	GXTONUJAQDWYAC-NSHDSACASA-N	328.303	1.944	50	40	EDGB	
COc1ccc(C(=O)NNC(=O)CSc2nnc(C)s2)cc1	515926	VRQMHEJUINAWMW-UHFFFAOYSA-N	338.414	1.408	50	40	EDGB	
O=C(C[C@@H]1Sc2ccccc2NC1=O)NNC(=O)c1ccco1	2171390	UDUDPQSNCNPOAG-LBPRGKRZSA-N	331.353	1.544	50	40	EDGB	
COC1=CC(=O)C([C@H](C)c2ccc(OC)cc2)=C/C1=N\NC(N)=O	104227092	KRSQYVABVBHTPJ-ALKCSPQHSA-N	329.356	1.862	50	40	EDGB	
O=C(O)c1ccccc1/C=N/NC(=O)[C@@H]1COc2ccccc2O1	3475726	XZRHQHCPJILXLZ-UPAIAECRSA-N	326.308	1.675	50	40	EDGB	
CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1ccc(Cl)cc1	67125965	HXSZCRQJIVNYFL-UHFFFAOYSA-N	327.768	1.626	50	40	EDGB	
CN(C)c1ccc(/C=N\NC(=O)Cn2cnc3ccccc3c2=O)cc1	31854491	WTXHMUXSXLDBER-NHDPSOOVSA-N	349.394	1.613	50	40	EDGB	
CCOc1cc(/C=N\NC(=O)c2ccncc2)ccc1OCC(N)=O	38164439	NLDMBYBKJGZWMP-JMIUGGIZSA-N	342.355	1.108	50	40	EDGB	
Cc1nc2ccccc2n1CC(=O)N/N=C1/C(=O)Nc2ccccc21	5687303	BPXAGUZSYXFTBC-UHFFFAOYSA-N	333.351	1.817	50	40	EDGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(C(=O)O)cc1	62319	NERUJZQRIGXRQM-RQZCQDPDSA-N	343.295	1.822	50	40	EDGB	
COc1ccc(CC(=O)NCC(=O)N/N=C/c2sccc2C)cc1	4086431	RJGGQMMGBWLVDT-VXLYETTFSA-N	345.424	1.874	50	40	EDGB	
CCOc1cc(/C=N/NC(=O)c2ccco2)ccc1OCC(N)=O	6960690	LYTYLIISDHPIEP-GIJQJNRQSA-N	331.328	1.306	50	40	EDGB	
CC(C)(C(=O)N/N=C/c1c[nH]nc1-c1ccc(F)cc1)n1cncn1	8566285	WPMMQJLKCWOMEX-DNTJNYDQSA-N	341.350	1.693	50	40	EDGB	
COc1ccc(N2C(=O)C[C@H](NNC(=O)c3ccccc3)C2=O)cc1	18137420	JSVYYDIRLNVVSD-HNNXBMFYSA-N	339.351	1.262	50	40	EDGB	
O=CN[C@H](Cc1cccc(N(CCCl)CCCl)c1)C(=O)O	1671282	KJWKATBKKLQSGS-CYBMUJFWSA-N	333.215	1.712	50	40	EDGB	
O=C(N/N=C/[C@H]1C[C@@H]2C=C[C@@H]1C2)C(=O)N/N=C/[C@H]1C[C@@H]2C=C[C@@H]1C2	104168084	NGTNPOWMSTVRGR-PVXYQNCBSA-N	326.400	1.615	50	40	EDGB	
COc1ccccc1[C@@H]1N[C@@H](C(=O)NN)Cc2c1[nH]c1ccccc21	35977335	VXLQVDARVWFUJG-WBVHZDCISA-N	336.395	1.770	50	40	EDGB	biogenic
O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1ccc([N+](=O)[O-])o1	3081073	SNLZPEPYGOTZAE-REZTVBANSA-N	334.263	1.207	50	40	EDGB	
O=C(NCc1ccccn1)C(=O)N/N=C/c1c(O)ccc2ccccc12	59435615	QFLUWPMOTXSKJA-WSDLNYQXSA-N	348.362	1.707	50	40	EDGB	
N#CC1=C(N)Oc2nc[nH]c(=O)c2[C@H]1c1cccc(Br)c1	288849	IJNBOFRDNLUNSS-JTQLQIEISA-N	345.156	1.751	50	40	EDGB	
COc1cc(/C=N/NC(N)=O)ccc1Oc1ccc([N+](=O)[O-])cn1	177826	IHLQAJIMHLTAQN-REZTVBANSA-N	331.288	1.793	50	40	EDGB	
O=C(Cc1c[nH]c2ccccc12)NNS(=O)(=O)c1cccc(F)c1	7383937	CZVHRFXVPDSBLV-UHFFFAOYSA-N	347.371	1.859	50	40	EDGB	
Cc1cccc(OCC(=O)N/N=C/c2ccc(S(=O)(=O)O)o2)c1	1829324	LQNOYXQQQHEOPK-OVCLIPMQSA-N	338.341	1.364	50	40	EDGB	
COc1ccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)CCC3)cc1	14247111	HBIWYZSCKWONKQ-UHFFFAOYSA-N	346.408	1.807	50	40	EDGB	
CC(C)=NNC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O	408768312	VWBLYZANNMPDOW-UHFFFAOYSA-N	331.825	1.926	50	40	EDGB	
CC[C@@H](C)N1C(=O)/C(=C\NNC(=O)c2ccccc2)C(O)=NC1=S	34221705	BSESYXSQMCBDBR-WJEYQPDNSA-N	346.412	1.687	50	40	EDGB	
O=C(CNC(=O)c1ccccc1Cl)N/N=C\c1ccccc1O	44835539	HPVLFLLHJBNKTI-OCKHKDLRSA-N	331.759	1.926	50	40	EDGB	
O=C(N/N=C/c1cccc(I)c1)c1nc[nH]n1	341765	NJRZQPHRVWQLAT-WLRTZDKTSA-N	341.112	1.173	50	40	EDGB	
COc1cc(OC)cc(C(=O)N/N=C2/C(=O)Nc3ccccc32)c1	5910405	DYHXGWJANIFGFO-UHFFFAOYSA-N	325.324	1.790	50	40	EDGB	
O=C(NC[C@@H]1CCCO1)C(=O)N/N=C\c1c(F)cccc1Cl	15899944	GFUCUCLKLOMBNX-QNNPZSRPSA-N	327.743	1.224	50	40	EDGB	
COc1cc(/C=C(\C#N)c2n[nH]c(N)c2C#N)c([N+](=O)[O-])cc1OC	5386702	HFIRWDRQMXBVQK-YCRREMRBSA-N	340.299	1.853	50	40	EDGB	
CCOC(=O)CC(=O)NNc1ncccc1-c1nc(C2CC2)no1	1775968182	MIZDNTRVDDUHKO-UHFFFAOYSA-N	331.332	1.405	50	40	EDGB	
O=C(NN[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1cccnc1	243368	QXQUTEXANZUFOA-CYBMUJFWSA-N	344.758	1.302	50	40	EDGB	
COc1cc(C(=O)NNC(=O)c2ccoc2C)cc(OC)c1OC	358408	ZQZAIXRYWNBWQX-UHFFFAOYSA-N	334.328	1.689	50	40	EDGB	
COc1ccc2ccccc2c1/C=N/NC(=O)[C@@H]1CCCNC1=O	59461562	DUMCKKHDQNZRCD-XLTHYULKSA-N	325.368	1.825	50	40	EDGB	
Cc1cc(O)cc(O)c1/C=N\NC(=O)[C@@H]1COc2ccccc2O1	13880661	WAHGGSFCHHBQFB-PKXKBNNOSA-N	328.324	1.696	50	40	EDGB	
CCOC(=O)/C(=N\NC(=O)c1ccccc1O)[C@H](C)C(=O)OCC	5459528	LFQNRWGBKWHQAF-PTDOCPKTSA-N	336.344	1.240	50	40	EDGB	
O=C(/C=C/c1ccco1)NC(=S)NNC(=O)c1ccccc1O	4950587	UKFZGQFGPPNREP-BQYQJAHWSA-N	331.353	1.334	50	40	EDGB	
O=C(CCl)N(c1ccc2ncccc2c1)[C@H]1CCS(=O)(=O)C1	217378141	HGROYAXIXNGMSY-ZDUSSCGKSA-N	338.816	1.994	50	40	EDGB	
COc1ccc(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])cc1OC	281975	GPSPOODELKFVNE-UHFFFAOYSA-N	345.311	1.687	50	40	EDGB	
O=C(COC(=O)c1ccc2c(c1)OCO2)NNC(=O)c1ccccc1	3281148	FWPPVICCPAMHKW-UHFFFAOYSA-N	342.307	1.033	50	40	EDGB	
C/C(CC(=O)Nc1ccc2c(c1)OCO2)=N\NC(=O)c1cccnc1	12629277	OUULQHYBRNCQJF-RGVLZGJSSA-N	340.339	1.945	50	40	EDGB	
CCOc1ccc(/C=N/NC(=O)C(=O)NCc2ccncc2)cc1	59459496	VOQGIKJPDNRHML-UDWIEESQSA-N	326.356	1.247	50	40	EDGB	
O=C(CCNC(=O)c1ccccc1)NNC(=O)c1ccccc1Cl	28774120	UGXSFSYNFPBULJ-UHFFFAOYSA-N	345.786	1.921	50	40	EDGB	
COc1ccc(CCNC(=O)C(=O)NN=C2CCCCC2)cc1OC	59515698	XZBPYLVKDSENRB-UHFFFAOYSA-N	347.415	1.799	50	40	EDGB	
CN(CCO)c1ccc(/C=N/NC(=O)CNc2ccccc2)cc1	7009316	PJBRXGQGGPYDEL-DEDYPNTBSA-N	326.400	1.677	50	40	EDGB	
Cc1cc(NC(=O)/C(C#N)=C/c2ccc3c(c2)n(C)c(=O)n3C)no1	61718751	FCJNXYKFMQIWRY-KPKJPENVSA-N	337.339	1.719	50	40	EDGB	
O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(F)cc1	198483244	HUMZMCMZRMVBAN-CYBMUJFWSA-N	341.342	1.640	50	40	EDGB	
C=CCOc1cc(N(CC)CC)ccc1/C=N/NC(=O)c1nc[nH]n1	5585337	AJNBOMQJHNPUCE-YBFXNURJSA-N	342.403	1.980	50	40	EDGB	
COc1ccc(O[C@H](C)C(=O)N/N=C2\N=C(N)c3ccccc32)cc1	16322208	XEXSPQSJMATFOO-LLVKDONJSA-N	338.367	1.659	50	40	EDGB	
COc1ccc(C(=O)NC(=S)NNC(=O)Cc2cccs2)cc1	4950570	HESHMLIUAOHYMI-UHFFFAOYSA-N	349.437	1.635	50	40	EDGB	
N#Cc1ccccc1-c1ccc(/C=N/NC(=O)CN2CCOCC2)o1	409004695	BHWODLKOXGQYHV-UDWIEESQSA-N	338.367	1.601	50	40	EDGB	
Cc1nccn1CC(=O)N/N=C\c1cc(Br)ccc1O	4467450	GDEDIMGGNJHWNS-APSNUPSMSA-N	337.177	1.810	50	40	EDGB	
O=C(NN1C(=O)[C@@H](Cl)[C@H]1c1ccccc1O)c1ccccc1O	1633498	HSFPEPKEBLETNN-UONOGXRCSA-N	332.743	1.934	50	40	EDGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1	58884999	ADIQUNNHPVATSU-LICLKQGHSA-N	342.311	1.692	50	40	EDGB	
O=C(NC[C@H]1COCCO1)NNc1ccc(OC(F)(F)F)cc1	57081842	LXOWTLGPCRPOHZ-NSHDSACASA-N	335.282	1.627	50	40	EDGB	
Cc1nc2nc(N)nn2c(C)c1CCC(=O)NN(C)c1ccccc1	13985033	TUKJWEUAUMIAPO-UHFFFAOYSA-N	339.403	1.424	50	40	EDGB	
COCc1n[nH]c2c1[C@@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2	4592566	HOMOHOFJMIMQBK-AWEZNQCLSA-N	342.355	1.791	50	40	EDGB	
Cc1cc(/C=N/NC(=O)CN2CCOCC2)c(C)n1-c1ccccc1	19855229	KAGXBTCZOUNOQZ-DEDYPNTBSA-N	340.427	1.876	50	40	EDGB	
CC(=O)c1c(C)cc(NC(=O)c2cc(B(O)O)ccc2F)cc1C	1558147919	GKXDJPSSOPOQCY-UHFFFAOYSA-N	329.136	1.577	50	40	EDGB	
Cc1cc(N2CCC(C(=O)NN)CC2)nc(-c2cccc(F)c2)n1	223465879	XETXZQDLWNJIOR-UHFFFAOYSA-N	329.379	1.797	50	40	EDGB	
C=CCCOCC(=O)NNC(=O)[C@H](C)Oc1ccc(OCC)cc1	57997336	OMUDWLARYPRIBQ-ZDUSSCGKSA-N	336.388	1.593	50	40	EDGB	
CCOC(=O)N1CCN(/C=C(\C#N)C(=O)Nc2ccccc2)CC1	5488797	FKGNSVLWPMVBAI-BUHFOSPRSA-N	328.372	1.807	50	40	EDGB	
C[C@]1(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1(Cl)Cl	68970114	MASIKPDNFGHARY-GXFFZTMASA-N	345.182	1.558	50	40	EDGB	
O=C(CCl)N(Cc1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1	217379253	FZGCFNWTSQEZMI-NSHDSACASA-N	345.804	1.170	50	40	EDGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OC(C)=O	38894	HEOJFRLBIHWAIQ-HNNXBMFYSA-N	340.339	1.870	50	40	EDGB	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CCl)c1	3888148	BISJRGFZKYGDPM-UHFFFAOYSA-N	334.825	1.903	50	40	EDGB	
COc1ccc(C(=O)N/N=C(\C)c2c(O)cc(C)oc2=O)cc1OC	5534525	NIAFNMAMERYGBO-VCHYOVAHSA-N	346.339	1.825	50	40	EDGB	
Cn1cc(C(=O)NNC(=S)NC[C@H]2CCCO2)c2ccccc21	6633137	FZNGCVHDIHBUOM-LLVKDONJSA-N	332.429	1.466	50	40	EDGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccncc2)cc1	39986616	CZHOGZQDPQJEPM-WQRHYEAKSA-N	346.412	1.161	50	40	EDGB	
C[C@@H]1C(=O)Nc2ccccc2CN1S(=O)(=O)CBr	585115028	JMQBMENBKBSKNH-MRVPVSSYSA-N	333.207	1.511	50	40	EDGB	
CCc1ccc(S(=O)(=O)NNC(=O)Cn2nc(C)cc2C)cc1	8108103	LSJCIZWBSKAEPU-UHFFFAOYSA-N	336.417	1.072	50	40	EDGB	
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N/N=C/c1ccccc1F	2585140	XYSKRFNIFZDAEO-PBGVMVHZSA-N	343.358	1.729	50	40	EDGB	
CC(=O)NNC(=O)CSc1nc2cc3c(cc2cc1C)OCCO3	4170951	NOXLAVUPWKMGNV-UHFFFAOYSA-N	347.396	1.574	50	40	EDGB	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2ccc(O)nn2)c1C	23606065	ZRKUCFGWSVSXPF-LLVKDONJSA-N	330.344	1.028	50	40	EDGB	
Cc1cc(C(=O)NNC(=O)C2CCN(C(=O)C3CC3)CC2)c(C)o1	26991332	KCUBUCDNSRTLJI-UHFFFAOYSA-N	333.388	1.306	50	40	EDGB	
CCc1n[nH]c2c1[C@@]1(C(=O)Nc3ccc(F)cc31)C(C#N)=C(N)O2	5610008	UEFUGDDANOUHBN-INIZCTEOSA-N	325.303	1.436	50	40	EDGB	
O=C(CNC(=O)c1ccccc1)N/N=C\c1ccc2c(c1)OCO2	31769001	RAADGVXFWQCCLG-OCKHKDLRSA-N	325.324	1.295	50	40	EDGB	
O=C(S[C@@H]1CS(=O)(=O)C[C@H]1Cl)c1ccc([N+](=O)[O-])cc1	36719759	BTXOPYKZBLTCHE-NXEZZACHSA-N	335.790	1.873	50	40	EDGB	
O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1ccc([N+](=O)[O-])cc1	3080492	YUPRXAOMEDPTDN-DJKKODMXSA-N	344.302	1.614	50	40	EDGB	
O=C(C[C@H]1Sc2ccccc2NC1=O)NNC(=O)c1ccco1	2171387	UDUDPQSNCNPOAG-GFCCVEGCSA-N	331.353	1.544	50	40	EDGB	
CCOC(=O)/C(=C\NNC(=O)c1cccnc1)C(=O)c1ccccc1	408893854	NTWJTGJVECPZMD-QINSGFPZSA-N	339.351	1.646	50	40	EDGB	
O=C(CBr)Nc1ccccc1C(=O)N1CCOCC1	35604978	PYSANTWZAYGIEK-UHFFFAOYSA-N	327.178	1.492	50	40	EDGB	
COc1cccc(/C=N\NC(=O)CC(=O)NCc2ccccc2)c1O	59444823	HLSSLGHQHKOARE-NDENLUEZSA-N	341.367	1.557	50	40	EDGB	
O=C(NCCc1ccc2c(c1)OCCO2)NNC(=O)c1ccccc1	12972908	UCLMTLBIHDJGDB-UHFFFAOYSA-N	341.367	1.645	50	40	EDGB	
NNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1	223467080	SBRVBAZIWAGVRY-UHFFFAOYSA-N	345.852	1.653	50	40	EDGB	
O=C(CSc1ccccn1)N/N=C/c1cc([N+](=O)[O-])ccc1O	195870	XBRTZUQADJCVEC-LZYBPNLTSA-N	332.341	1.938	50	40	EDGB	
COc1ccc(/C=N\NC(=O)CN2CCOCC2)c2ccccc12	59246474	KYHXOMMCGYMHNS-UNOMPAQXSA-N	327.384	1.631	50	40	EDGB	
O=c1cc(CCl)[nH]c2nc(N3CCN(c4ccccc4)CC3)nn12	100293602	UZZNJZBPDGZEGC-UHFFFAOYSA-N	344.806	1.483	50	40	EDGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccc2)cc1	28617628	IFDJUKPPZWEXSZ-PDGQHHTCSA-N	345.424	1.766	50	40	EDGB	
C[C@@]12O[C@@H]([C@H](Br)[C@@H]1Br)[C@@H]1C(=O)OC(=O)[C@H]12	239338872	LIWROZKJGNEHRM-YWFMFFHKSA-N	339.967	1.000	50	40	EDGB	
CCNS(=O)(=O)C[C@]1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2Br	5591714	CHHKYNYNFQLRRG-LUTQBAROSA-N	338.267	1.695	50	40	EDGB	
Cc1cc(C)n2nc(SCC(=O)N/N=C/c3ccccn3)nc2n1	360870	WLWHIIHSJNPZSB-CAOOACKPSA-N	341.400	1.379	50	40	EDGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1	16699650	YLWIZXNJMOGQTE-IPJDOKCGSA-N	346.408	1.462	50	40	EDGB	
Cc1noc(C)c1S(=O)(=O)NNC(=O)c1ccc2ccccc2n1	24100885	WHXJCSCMHOBHEE-UHFFFAOYSA-N	346.368	1.463	50	40	EDGB	
CCc1ccc(NC(=S)NNC(=O)CN2CCCCCC2=O)cc1	13039478	AUCGRLFTFVUETJ-UHFFFAOYSA-N	348.472	1.969	50	40	EDGB	
CCCN1C(=O)/C(=N/NC(=O)[C@H](O)c2ccccc2)c2ccccc21	5904497	UEVYYKCRDNYBQQ-PBEQFFAXSA-N	337.379	1.997	50	40	EDGB	
CS(=O)(=O)[C@H](I)[C@@H](O)c1ccc(N)cc1	96519170	OFYPPZLAJPIEMA-IUCAKERBSA-N	341.170	1.108	50	40	EDGB	
Cc1ccc(NCC(=O)NNC(=O)CSCc2ncc[nH]2)c(C)c1	72275242	UESIBAGPJVRQAA-UHFFFAOYSA-N	347.444	1.519	50	40	EDGB	
NC(=O)N/N=C1/CC[C@@H](OC(=O)c2ccccc2)C[C@H]1CC(=O)O	104226186	MICMAEWJZRQTPB-JPHUNPSUSA-N	333.344	1.511	50	40	EDGB	
C[C@@]1(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1Br	2300692	HUEJJPPJVOBPHU-BXKDBHETSA-N	342.149	1.529	50	40	EDGB	
O=C(O)c1ccc(N(C(=O)CCl)[C@H]2CCS(=O)(=O)C2)cc1	40177567	PWKJDJXHPUVAPK-NSHDSACASA-N	331.777	1.144	50	40	EDGB	
CCOC(=O)NNC(=O)[C@H]1CS[C@@H](c2ccccc2)N1C(C)=O	1643134	PVAXZHBYAYNHQC-OCCSQVGLSA-N	337.401	1.426	50	40	EDGB	
COC(=O)Cc1[nH]nc2c1[C@@H](c1cccc(F)c1)C(C#N)=C(N)O2	4453394	LLBXCAQCLLKHBY-ZDUSSCGKSA-N	328.303	1.482	50	40	EDGB	
Cc1cc2c(c(=O)n1CCO)[C@H](c1ccccc1F)C(C#N)=C(N)O2	4851031	KKBHIBJYLMLCSX-OAHLLOKOSA-N	341.342	1.506	50	40	EDGB	
O=C(N/N=C/c1ccccc1O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	3465875	OVNYSSSVZDTXRN-VIZOYTHASA-N	346.255	1.678	50	40	EDGB	
COc1ccc(OCC(=O)N/N=C2/C(=O)N(C)c3ccccc32)cc1	5730911	MJERGZMIZNKIOV-LVZFUZTISA-N	339.351	1.571	50	40	EDGB	
COc1cc([N+](=O)[O-])ccc1NCCN1C[C@@H](C(=O)Cl)CC1=O	45958664	NJZKMKNEAWQZRB-VIFPVBQESA-N	341.751	1.629	50	40	EDGB	
Nc1nnnn1CC(=O)N/N=C/c1c2ccccc2cc2ccccc12	547467	NNRUOVQRDFKGLH-KEBDBYFISA-N	345.366	1.712	50	40	EDGB	
C/C(N)=C(\C#N)C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1	104706737	PDGOQJHRISOWIS-NTMALXAHSA-N	344.352	1.883	50	40	EDGB	
CC(=O)O[C@@H](C[N+](=O)[O-])P(=O)(OCCCl)OCCCl	3011978	DLWMCZPYRCDRND-MRVPVSSYSA-N	338.080	1.856	50	40	EDGB	
Cn1cccc1C(=O)NNS(=O)(=O)c1ccc(F)cc1Cl	44255746	CCSDCPXADGBERP-UHFFFAOYSA-N	331.756	1.441	50	40	EDGB	
O=C(O)CC/C(=N\NC(=O)c1cc2ccccc2cc1O)C(=O)O	33679801	QAQBPIRKEXIQAS-SFQUDFHCSA-N	330.296	1.581	50	40	EDGB	
CCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(OC)cc2)s1	191566	ZWUTUUCTJNAYSH-CXUHLZMHSA-N	347.400	1.588	50	40	EDGB	
C[C@]1(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1(Cl)Cl	2345280	SSANHVQXRMAITP-LLVKDONJSA-N	332.143	1.940	50	40	EDGB	
O=C(N[C@H](CO)C(=O)N/N=C/c1ccccc1)OCc1ccccc1	3082089	UEJUDMXRZCOLDZ-YDDPGSGASA-N	341.367	1.424	50	40	EDGB	
COc1ccc(-n2cc(C(=O)NN)c([C@H](O)c3ccccc3)n2)cc1	27987105	BRSBUWFKXQVTCM-QGZVFWFLSA-N	338.367	1.566	50	40	EDGB	
COc1ccc2[nH]cc(CCNCCSS(=O)(=O)O)c2c1	19898108	LWGBVCRBSRHLHZ-UHFFFAOYSA-N	330.431	1.845	50	40	EDGB	biogenic
O=C(N/N=C\c1ccc(N2CCOCC2)cc1)c1ccccc1O	33444081	LXSUZVUZPCIEMW-UYRXBGFRSA-N	325.368	1.993	50	40	EDGB	
O=C(CCNC(=O)c1ccco1)NNC(=S)Nc1ccccc1	7778275	AUUHTHJUQIQSDC-UHFFFAOYSA-N	332.385	1.417	50	40	EDGB	
CC(=O)N[C@@H](CC(=O)NNC(=O)c1cccs1)c1ccccc1	8357611	RFMLEDFWGOXHPT-ZDUSSCGKSA-N	331.397	1.777	50	40	EDGB	
CC(C)Nc1nc(NC(C)C)nc(Oc2ccc(C(=O)NN)cc2)n1	499856	ODFJWNZOEOQKFT-UHFFFAOYSA-N	345.407	1.908	50	40	EDGB	
CC(=O)NNC(=O)c1sc(=S)n2c1[nH]c(=O)c1ccccc12	2956470	ZOHLDLITGASDEJ-UHFFFAOYSA-N	334.382	1.353	50	40	EDGB	
CCCOc1ccc(/C=C(\C#N)C(=O)NCCN2CCOCC2)cc1	27018678	SYHXWOHWIZJZBF-SAPNQHFASA-N	343.427	1.831	50	40	EDGB	
COc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2ccccc2F)c1	3085339	BNUJDUBCNUBRET-VXLYETTFSA-N	345.330	1.932	50	40	EDGB	
COC(=O)CC1=C(C(=O)OC)[C@@H](c2ccccc2F)C(C#N)=C(N)O1	4476285	VDSNMWFNUJUHQG-AWEZNQCLSA-N	346.314	1.624	50	40	EDGB	
Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccccc3)CC2=O)cc1	8290138	CHFICSIQSWRDLI-OAHLLOKOSA-N	337.379	1.809	50	40	EDGB	
COc1cccc(N(Cc2nnc(O)[nH]2)C(=O)C(Cl)Cl)c1	101407943	KTWYZVCMSQGMOV-UHFFFAOYSA-N	331.159	1.856	50	40	EDGB	
COc1cc(/C=N/NC(=O)CNc2ccccc2)c(O)c([N+](=O)[O-])c1	59720805	YYENYQSITKDJFV-GIJQJNRQSA-N	344.327	1.871	50	40	EDGB	
Cc1ccc(NC(=O)CCl)cc1S(=O)(=O)N1CCOCC1	3885234	TYWISOYVVPNNAL-UHFFFAOYSA-N	332.809	1.193	50	40	EDGB	
Cc1cc(=O)[nH]c(NN2[C@@H](Cl)C(=O)[C@@H]2c2ccc([N+](=O)[O-])cc2)n1	17218986	LZCIRNHZRKIXBK-WCQYABFASA-N	349.734	1.504	50	40	EDGB	
COc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)c1	4838863	UXIBSOMMMLPSOY-UHFFFAOYSA-N	327.340	1.403	50	40	EDGB	
COc1ccccc1C(=O)NCCC(=O)NNC(=O)c1cccs1	12576398	DLQSEHXUYMGXSU-UHFFFAOYSA-N	347.396	1.338	50	40	EDGB	
CC(=O)NNC(=O)N[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1	1615055196	JCEKDKRCEWREEA-AWEZNQCLSA-N	344.337	1.544	50	40	EDGB	
Cc1scc(C(=O)NNC(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)c1C	5577372	AJXALPZZKVFHDX-USZNOCQGSA-N	338.385	1.004	50	40	EDGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cccs2)c(OC)c1	4699056	LLICMVCOJOUNQT-CXUHLZMHSA-N	333.369	1.854	50	40	EDGB	
CNC(=O)/C(C#N)=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1	408795044	JWPJVEYXCGIDKC-SCZPIIQISA-N	343.383	1.014	50	40	EDGB	
Cc1cc([N+](=O)[O-])nn1CCC(=O)N/N=C/c1ccc(F)s1	252498860	ROFCPSRGJMUFQW-VGOFMYFVSA-N	325.325	1.841	50	40	EDGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1O	5720207	ZQVDHPFCYJKCEV-GIJQJNRQSA-N	331.303	1.629	50	40	EDGB	
COC(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)cc2)CC(=O)N1	301320	TZGSOOSUQKXUFN-GFCCVEGCSA-N	332.381	1.940	50	40	EDGB	
COc1cc(/C=N\NC(=O)c2ccc3c(c2)OCO3)cc(OC)c1O	28616291	AUVYGNGGALFXLR-LSCVHKIXSA-N	344.323	1.902	50	40	EDGB	
COc1ccc2[nH]c(=O)c([C@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)cc2c1	6300190	UALVRUBQNNDITL-HNNXBMFYSA-N	349.350	1.786	50	40	EDGB	
C/C=C/c1ccc(OCC(=O)OCC(=O)/C(C#N)=C(/C)N)c(OC)c1	103056282	WNOUOCAEEREYDF-KVRWSMDKSA-N	344.367	1.976	50	40	EDGB	
O=C(CCN1CCN(Cc2ccccc2)CC1)N/N=C/c1ccco1	22030520	VWGYQTUJIXGUIY-HMMYKYKNSA-N	340.427	1.938	50	40	EDGB	
COC1=C(C#N)[C@@H](c2cc3c(cc2Cl)OCO3)C(C#N)=C(N)N1	3073731	DDCOQDJQGGCQSR-ZDUSSCGKSA-N	330.731	1.831	50	40	EDGB	
CCOc1cc(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)ccc1OC	12600368	QEGJUJNZGOIJPT-XYOKQWHBSA-N	340.387	1.991	50	40	EDGB	
CC1=C(C)C[C@H](C(=O)NNC(=O)c2ccccc2O)[C@@H](C(=O)O)C1	4651741	IMYVRAUNMDSWDR-STQMWFEESA-N	332.356	1.600	50	40	EDGB	
COC(=O)CCC(=O)NNC(=O)COc1ccc2ccccc2c1	5914501	QHYVXBPUDWLRHY-UHFFFAOYSA-N	330.340	1.319	50	40	EDGB	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc2ncccc2c1	72276947	IZJGHYVNEVFJIS-KRWDZBQOSA-N	349.346	1.836	50	40	EDGB	
CC(C)=C[C@@H]1[C@@H](C(=O)NNC(=O)C[C@@H]2CCS(=O)(=O)C2)C1(C)C	84671054	IBHIDLWOQKFEEE-SCRDCRAPSA-N	342.461	1.197	50	40	EDGB	
Cc1[nH]nc2c1C1(CCN(C(=O)c3ccccc3)CC1)C(C#N)=C(N)O2	5130078	JCWNUCWGMSXRTB-UHFFFAOYSA-N	349.394	1.978	50	40	EDGB	
O=C(NNC(=O)[C@@H]1CC=CC[C@H]1C(=O)O)c1cccc([N+](=O)[O-])c1	372919	CAAFBCSMAXUICZ-VXGBXAGGSA-N	333.300	1.023	50	40	EDGB	
O=C(CCc1ccccc1)NNC(=S)NC(=O)c1ccccc1	2135480	HOSXTTDNAFCQFA-UHFFFAOYSA-N	327.409	1.955	50	40	EDGB	
CCn1nc(C(=O)NNC(=O)c2cccs2)c2ccccc2c1=O	5823464	RGIVMMDJDBVXNI-UHFFFAOYSA-N	342.380	1.553	50	40	EDGB	
O=C(N/N=C/c1ccc(F)cc1)C(=O)Nc1ccc2c(c1)OCO2	409001130	HCOJIWULGGZYIG-QGMBQPNBSA-N	329.287	1.643	50	40	EDGB	
CCOC1=C(C(C)=O)[C@]2(C(=O)Nc3ccccc32)C(C#N)=C(N)O1	49947121	NVQXTUKUJPXNKV-QGZVFWFLSA-N	325.324	1.438	50	40	EDGB	
CCS(=O)(=O)[C@H](Br)C(=O)c1ccc([N+](=O)[O-])cc1	96517871	LPHOXZFZVZBKKR-JTQLQIEISA-N	336.163	1.933	50	40	EDGB	
Cc1cccc(OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1	5548510	ZXUUNRAWZUYQDM-INIZCTEOSA-N	342.351	1.361	50	40	EDGB	
COc1cccc(/C=N/NC(=O)CC(=O)NCc2cccnc2)c1	5335606	VMGPKHOAIYBOQE-UDWIEESQSA-N	326.356	1.247	50	40	EDGB	
O=C(C[n+]1ccccc1)N/N=C/c1ccc(Br)s1	1603529	DVUQPRMXBFHUSW-RIYZIHGNSA-O	325.211	1.948	50	40	EDGB	
CCN1C(=O)[C@]2(C(C#N)=C(N)OC(C)=C2C(=O)OC)c2ccccc21	4753263	WWBCUMWSJMEGCH-SFHVURJKSA-N	339.351	1.462	50	40	EDGB	
COc1cccc(C(=O)N/N=C2/C(=O)Nc3ccc(OC)cc32)c1	59472604	ZOVZYLMVBHYTFZ-UHFFFAOYSA-N	325.324	1.790	50	40	EDGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)NCC(C)C)cc1OCC	3089966	AIJLRINYNWMXBP-UDWIEESQSA-N	347.415	1.872	50	40	EDGB	
CC(C)CC(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12	15945760	SICFNTCTRDPJRP-UHFFFAOYSA-N	330.388	1.785	50	40	EDGB	
CC(C)(C)CC(=O)NNS(=O)(=O)N=[S@](C)(=O)c1ccccc1	585118924	ILBIWQYNWVNQKB-OAQYLSRUSA-N	347.462	1.445	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)C2CC2)cc1I	578914	UZIYOIFOXARVKW-UHFFFAOYSA-N	344.152	1.771	50	40	EDGB	
O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1occc1-c1ccccc1	70724145	OJEBZIMALAKJKR-LBPRGKRZSA-N	348.380	1.142	50	40	EDGB	
COc1ccccc1OCC(=O)NNC(=O)c1cccnc1SC	12821561	KDZMXLMTSCIXBX-UHFFFAOYSA-N	347.396	1.652	50	40	EDGB	
CCc1n[nH]c(C(=O)NNC(=S)Nc2ccccc2OC)c1C	18191324	WKYUTKKCQKHDDC-UHFFFAOYSA-N	333.417	1.921	50	40	EDGB	
CC(C)(C)NNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1	9513369	USNBCBXAEYTFSG-UHFFFAOYSA-N	339.461	1.894	50	40	EDGB	
COc1ccc(CC(=O)N/N=C\c2ccc(OCC(N)=O)cc2)cc1	408964788	SEKLFJGTIUYVMY-JAIQZWGSSA-N	341.367	1.252	50	40	EDGB	
COCC(=O)N/N=C1\C(=O)N(C2CSC2)c2ccc(Cl)cc21	223740086	IORDRFJIYJBJEJ-LGMDPLHJSA-N	339.804	1.269	50	40	EDGB	
CCOc1ccc(N(CC(=O)NN=C(C)C)S(C)(=O)=O)cc1	19955030	OVLJSXHZAMYOQD-UHFFFAOYSA-N	327.406	1.363	50	40	EDGB	
Cc1nn(C)c2nc(C3CC3)cc(C(=O)NNC(=S)NC3CC3)c12	17071889	QWSFJTSSVNWIOB-UHFFFAOYSA-N	344.444	1.425	50	40	EDGB	
Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)NN	7361593	GJWSJDMVTPPYJY-UHFFFAOYSA-N	335.385	1.165	50	40	EDGB	
O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccc(Cl)cc1Cl	7782282	RTXAPNXWBBHNDO-TUVHXFJTSA-N	344.198	1.739	50	40	EDGB	
NC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1	561597	MIBBTLKVKUGHEO-DJKKODMXSA-N	331.759	1.968	50	40	EDGB	
COC(=O)[C@@H]1C(=O)NC(SC)=C(C#N)[C@@H]1c1ccc(OC)cc1	12276347	HIGPVJUWMIUVTB-STQMWFEESA-N	332.381	1.796	50	40	EDGB	
O=C(N/N=C/[C@H]1C[C@@H]2C=C[C@@H]1C2)C(=O)N/N=C/[C@@H]1C[C@@H]2C=C[C@@H]1C2	104168075	NGTNPOWMSTVRGR-MAJDMVAASA-N	326.400	1.615	50	40	EDGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)c(OC)c1	408803964	BHBDKLQATIHHSY-DELQEKLWSA-N	331.372	1.381	50	40	EDGB	
CCCC(=O)NNC(=O)CCC(=O)Nc1nc2ccccc2s1	5864729	DYIKDDRWDCYYTK-UHFFFAOYSA-N	334.401	1.963	50	40	EDGB	
Cc1n[nH]c(C)c1S(=O)(=O)NNC(=O)c1oc2ccccc2c1C	9515857	OBVKTLJTGGABOI-UHFFFAOYSA-N	348.384	1.704	50	40	EDGB	
Cc1ccc(Br)cc1S(=O)(=O)NNC(=O)C(C)C	8884198	FKCAFZDDERNSGE-UHFFFAOYSA-N	335.223	1.723	50	40	EDGB	
CCOc1ccc(N([C@H](C)C(=O)NN=C(C)C)S(C)(=O)=O)cc1	408905937	BFCIHMVPFJNTKY-GFCCVEGCSA-N	341.433	1.752	50	40	EDGB	
CC(C)(C)C(=O)NNS(=O)(=O)c1cc(Cl)cnc1Cl	585118774	BFVLWFNBIHWDNM-UHFFFAOYSA-N	326.205	1.744	50	40	EDGB	
CC(=O)OCc1cc(C2C(C#N)=C(N)OC(N)=C2C#N)c(C)cc1C	43589	IFXJPUGDSLHLNX-UHFFFAOYSA-N	338.367	1.868	50	40	EDGB	
C[C@H](OC(=O)CBr)[C@@H](C)OC(=O)CBr	1674799	XNOGFVKAYPLYHY-OLQVQODUSA-N	331.988	1.640	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccc2c(c1)CCC2)c1ccccc1F	7428912	IMOSEBYVOZHZNL-UHFFFAOYSA-N	334.372	1.938	50	40	EDGB	
O=C(NCCc1ccccc1)C(=O)N/N=C/c1ccc(C(=O)O)cc1	59515405	WYAJRUPQTRHIFQ-UDWIEESQSA-N	339.351	1.194	50	40	EDGB	
O=C(CCC1CCCC1)NNC(=O)c1n[nH]c(=O)c2ccccc12	6173912	GZFOFDVBVRITOC-UHFFFAOYSA-N	328.372	1.655	50	40	EDGB	
COc1ccc(OCC(=O)n2cc(C(=O)NN)c3ccccc32)cc1	216874910	CVNZNSQTJXKUBQ-UHFFFAOYSA-N	339.351	1.973	50	40	EDGB	
O=C(NCCc1ccccc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1	5603026	RETMDARNRNNQLV-XDHOZWIPSA-N	340.339	1.404	50	40	EDGB	
COc1ccc(/C=N/NC(=O)CNC(=O)c2ccco2)cc1OC	1879190	BEEIJDYISJMWPR-GIJQJNRQSA-N	331.328	1.177	50	40	EDGB	
O=C(NCCCl)Nc1cccc(S(=O)(=O)N2CCCC2)c1	4949068	KUMPAHMQNZPKNM-UHFFFAOYSA-N	331.825	1.831	50	40	EDGB	
CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccccc2)cc1	59434116	JNOYEODWAABISH-XDHOZWIPSA-N	339.351	1.952	50	40	EDGB	
O=C(CN1CCOCC1)N/N=C/c1cccn1-c1ccc(Cl)cc1	59302912	SBAIFAQGKSYMNH-XDHOZWIPSA-N	346.818	1.913	50	40	EDGB	
O=C(NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O)c1ccccc1[N+](=O)[O-]	4657078	PIYFLKYHFBOGIR-ZJUUUORDSA-N	335.316	1.247	50	40	EDGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc3c(c2)OCO3)c1	409000054	WVQRYFMMWFMCAN-GIJQJNRQSA-N	341.323	1.513	50	40	EDGB	
Cc1ccc(-n2c(SCC(=O)NN)nnc2-c2ccncc2)cc1	36724766	FCXFYZDTMJIPDA-UHFFFAOYSA-N	340.412	1.720	50	40	EDGB	
CCn1ncc(/C=N/NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])c1F	252508029	XARDCZUKUGVPED-UWOUAGFBSA-N	349.322	1.868	50	40	EDGB	
COC(=O)CCC(=O)NNC(=O)CCC(=O)Nc1ccc(C)c(C)c1	5684299	RMBOKMWAJVEZTR-UHFFFAOYSA-N	349.387	1.123	50	40	EDGB	
CC(C)c1n[nH]c2c1[C@@]1(C(=O)Nc3ccc(F)cc31)C(C#N)=C(N)O2	128435	BYBQBWSGVDJIPI-KRWDZBQOSA-N	339.330	1.997	50	40	EDGB	
CCOC(=O)C(C(=O)OCC)N(C(=O)CCl)c1ccccc1	1707413	GJRUCBXSRBSRKW-UHFFFAOYSA-N	327.764	1.753	50	40	EDGB	
COc1cccc(N2C(=O)C[C@H](NNC(=O)c3cccs3)C2=O)c1	100141856	PEKLBBLTPDWNAA-LBPRGKRZSA-N	345.380	1.323	50	40	EDGB	
O=C(NNC(=O)[C@H]1CC1(Cl)Cl)[C@@H]1COc2ccccc2O1	25465184	ONBLWEFJZFOYFJ-XCBNKYQSSA-N	331.155	1.168	50	40	EDGB	
Cc1scc(C(=O)NNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)c1C	102197922	XAQVXSCIVYABAS-UKJIMTQDSA-N	336.413	1.873	50	40	EDGB	
CCc1n[nH]c2c1[C@@H](c1ccc(OCC(N)=O)cc1)C(C#N)=C(N)O2	987562	DQLKHKQLPXJYAT-AWEZNQCLSA-N	339.355	1.054	50	40	EDGB	
COc1cccc2c1NC(=O)/C2=N\NC(=O)c1cccc([N+](=O)[O-])c1	59472657	VYZJDZWUDDFMQW-UHFFFAOYSA-N	340.295	1.690	50	40	EDGB	
COc1ccc(NC(=S)NNC(=O)c2ccncc2)c(OC)c1	1405699	SGNOMPUJAAPFAL-UHFFFAOYSA-N	332.385	1.730	50	40	EDGB	
O=C(COC(=O)c1ccc([N+](=O)[O-])s1)NNC(=O)c1ccccc1	3495142	ZDYHCQWSYJWXFU-UHFFFAOYSA-N	349.324	1.274	50	40	EDGB	
Cc1cc(C)n(CC(=O)N/N=C/c2ccc(N3CCOCC3)s2)n1	6686988	BSPYLBKBYDACCM-LICLKQGHSA-N	347.444	1.548	50	40	EDGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](CC)[C@@H]2C1	20000710	ITBLCFKBUQICBV-KGLIPLIRSA-N	325.372	1.811	50	40	EDGB	
CCO[Si](OCC)(OCC)c1cc(OC)c(OC)c(OC)c1	196014286	CXTGZCOHDBONNO-UHFFFAOYSA-N	330.453	1.968	50	40	EDGB	
Cc1ccccc1C(=O)NNS(=O)(=O)c1cnc(Cl)c(C)c1	71910135	OUQGEZDJIWTCOW-UHFFFAOYSA-N	339.804	1.975	50	40	EDGB	
N#C/C(=C\c1ccc(OCC(N)=O)cc1)C(=O)Nc1ccc(O)cc1	409218796	HDXVFFCWOJBMJF-UKTHLTGXSA-N	337.335	1.802	50	40	EDGB	
O=C(O)/C=C/C(=O)NNc1nc(C(F)(F)F)nc2ccccc12	32824459	YULCTABTZFLITI-AATRIKPKSA-N	326.234	1.733	50	40	EDGB	
Cc1ccccc1OCc1ncc(C(=O)NN)c(N2CCCC2)n1	223460599	KAUMBXZCUHIQAU-UHFFFAOYSA-N	327.388	1.568	50	40	EDGB	
COc1ccc(/C(C)=N/NC(=O)c2nc3nc(C)cc(C)n3n2)cc1	131751	ZNMUFOYQITVPFO-UDWIEESQSA-N	338.371	1.904	50	40	EDGB	
O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(F)cc1	4079623	CUCZNJMTACBHDC-DJKKODMXSA-N	344.302	1.614	50	40	EDGB	
O=C(O)[C@@H]1[C@@H]2C[C@H]([C@H]1C(=O)O)[C@H](Br)[C@@H]2Br	4769238	HECPLCNVJSYLGU-LXTYMGNCSA-N	341.983	1.565	50	40	EDGB	
O=C(NCc1nnc2n1CCCCC2)NNC(=O)c1cccs1	32801964	PBZKTVCLMXOAQY-UHFFFAOYSA-N	334.405	1.210	50	40	EDGB	
COC(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1	9704077	OOCIIYOSUWGVHE-HNNXBMFYSA-N	340.339	1.488	50	40	EDGB	
COCCNC(=O)/C(C#N)=C(\NCc1ccc(Cl)nc1)SC	20494698	VEBDNAXLUAWCSG-SDNWHVSQSA-N	340.836	1.685	50	40	EDGB	
Cc1ccc[n+](-c2[nH]c(=O)sc2/C=N/NC(=O)c2ccncc2)c1	13763612	JGUQCTZJSRMODW-UHFFFAOYSA-O	340.388	1.180	50	40	EDGB	
COc1cc(C(=O)NNC(=O)c2cc(C)no2)cc(OC)c1OC	8940716	AEKBHUFMFQZWST-UHFFFAOYSA-N	335.316	1.084	50	40	EDGB	
CC(C)(C)C(=O)NNS(=O)(=O)c1ccc2onc(Cl)c2c1	585119110	RKUDXUGKZULBSX-UHFFFAOYSA-N	331.781	1.837	50	40	EDGB	
O=C(NC[C@@H]1COc2ccccc2O1)NNC(=O)c1ccccc1	30997241	YXOYVCXDVLZSTH-CYBMUJFWSA-N	327.340	1.471	50	40	EDGB	
O=C(N/N=C1\C(=O)Nc2ccccc21)/C(O)=C/C(=O)c1ccccc1	100932853	GHNXIVLCLOLXBY-GDNBJRDFSA-N	335.319	1.784	50	40	EDGB	
Cc1nc(C)c(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)s1	48364793	FSMPDXKSPLAMFV-GFCCVEGCSA-N	333.369	1.361	50	40	EDGB	
Cc1n[nH]c(C)c1CCC(=O)N/N=C\c1ccccc1OCC(=O)O	5010152	KRCFSFDUPGMBMI-NVMNQCDNSA-N	344.371	1.573	50	40	EDGB	
C[C@@H](CCc1ccccc1)NS(=O)(=O)c1cccc(C(=O)NN)c1	225502403	GOHKBTZGMMEAGR-ZDUSSCGKSA-N	347.440	1.590	50	40	EDGB	
Cc1c([N+](=O)[O-])cnn1CCC(=O)N/N=C/c1ccc(F)s1	252504181	VHYFZNGZUPAMSS-MKMNVTDBSA-N	325.325	1.841	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccc2nc(O)sc2c1)C1CCCC1	585119362	DSEPTKDWNHXIJU-UHFFFAOYSA-N	341.414	1.502	50	40	EDGB	
N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)NC[C@H]1CCCO1	247245	HOMTXZZOCGPETQ-XETPBLJFSA-N	330.340	1.352	50	40	EDGB	
O=C(NNC(=O)[C@H]1CCCO1)c1cccc2c3c([nH]c12)CCCC3	32261220	HFDVEWRLPAKCLE-OAHLLOKOSA-N	327.384	1.987	50	40	EDGB	
CCN(CC)c1ccc(/C=N/NC(=O)Cc2cc(O)n[nH]2)c(O)c1	546971	QWFBFUCXPSNTFG-LICLKQGHSA-N	331.376	1.360	50	40	EDGB	
CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1ccc(O)c(O)c1	57509046	CTCRSKSRKIPFTB-GFCCVEGCSA-N	326.736	1.508	50	40	EDGB	
C[C@@H]1CCc2sc(C(=O)NNC(=O)c3ccc[nH]c3=O)cc2C1	12863082	FVLNFDUMQWJVMG-SECBINFHSA-N	331.397	1.636	50	40	EDGB	
CC1CCN(C(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)CC1	102538746	USNKYMWYXVOHGL-HKLHZYFVSA-N	342.233	1.816	50	40	EDGB	
N#C/C(=C/c1ccc(OCC(=O)N2CCOCC2)cc1)C(N)=S	2888425	FYQBMELLHKHUBN-LCYFTJDESA-N	331.397	1.117	50	40	EDGB	
COC(=O)NNC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1	48538582	DGZAGUHFHCXUHH-AOOOYVTPSA-N	340.355	1.832	50	40	EDGB	
COCCOC(=O)/C(C#N)=C/c1cccc(OC)c1O[C@H](C)C(=O)O	409245140	NYNJGOJEJWPFOH-VSXLWIIGSA-N	349.339	1.644	50	40	EDGB	
CS(=O)(=O)c1ccc(CCNC(=O)/C(C#N)=C/c2ccco2)cc1	96426580	RHBRFDOKAGVRBS-SDNWHVSQSA-N	344.392	1.949	50	40	EDGB	
COc1ccc(/C=C/C(=O)NNC(=O)c2cc(C)n[nH]2)cc1OC	106290	QNSREOSPBNYLBV-FNORWQNLSA-N	330.344	1.210	50	40	EDGB	
COC(=O)Cc1n[nH]c2c1[C@@H](c1c[nH]c3ccccc13)C(C#N)=C(N)O2	5129901	MEEDWCOTUDHGMN-OAHLLOKOSA-N	349.350	1.825	50	40	EDGB	
COc1ccc2c(c1OC)C(=O)O[C@H]2NNC(=O)c1ccc(O)cc1	5375412	JLNLGHPONVIVJF-MRXNPFEDSA-N	344.323	1.513	50	40	EDGB	
CCc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccco3)CC2=O)cc1	8354504	QGMFKFZSICUQJV-CYBMUJFWSA-N	341.367	1.656	50	40	EDGB	
C/C(=C\C(=O)NNC(=O)c1cc(Br)cn1C)C1CC1	48682402	JVTBUGWDFVQLMB-VMPITWQZSA-N	326.194	1.905	50	40	EDGB	
COc1ccc(O)c(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c1	409179895	PIJVLYFSBMKZJH-GIJQJNRQSA-N	328.324	1.822	50	40	EDGB	
CS(=O)(=O)[C@@H](I)C(=O)c1cccc(F)c1	96517926	OJPQBWXLGPDEFS-SECBINFHSA-N	342.129	1.814	50	40	EDGB	
CCn1ncc(/C=N/NC(=O)c2cc(-c3cnn(C)c3C)on2)c1F	252487515	HXDLLQNVBDQUBN-UBKPWBPPSA-N	345.338	1.503	50	40	EDGB	
COc1ccc(C(=O)NNC(=O)CN2C[C@@H](C)C[C@H](C)C2)cc1OC	12938631	JAAJEPSTFCZCRS-STQMWFEESA-N	349.431	1.443	50	40	EDGB	
O=C(Cc1cc(Cl)c2c(c1)OCCCO2)NNc1ncccn1	44716695	WKIDSIQXXJJFLG-UHFFFAOYSA-N	334.763	1.977	50	40	EDGB	
NS(=O)(=O)c1ccc(CNC(=O)[C@@H](Cl)c2ccccc2)cc1	13945901	RMYDCKXDWKTCRI-AWEZNQCLSA-N	338.816	1.930	50	40	EDGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c(OC)c1OC	4816040	AKICUIWDLAQIDY-CYBMUJFWSA-N	342.355	1.962	50	40	EDGB	
CC1(C)[C@]2(C)NC(=O)[C@@]1(C#N)C(C#N)=C(I)N2	22173276	CVZCGHPLDNFUIJ-WDEREUQCSA-N	342.140	1.142	50	40	EDGB	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)N(C)c1ccccc12	89406	OESHPODNXCQFRN-QGZVFWFLSA-N	325.324	1.072	50	40	EDGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C/N2CCC(C(N)=O)CC2)cc1C	30791240	HOWUYHDGDFSALD-LFIBNONCSA-N	347.440	1.639	50	40	EDGB	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)O)cc1	3350149	MOPYQTAYOSIIGM-UONOGXRCSA-N	334.372	1.412	50	40	EDGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCC(C)C)cc(Cl)c1O	6958728	YHSYTLHTKCGXHJ-QGMBQPNBSA-N	341.795	1.667	50	40	EDGB	
Cc1cccc(OCC(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(=O)O)c1	357360	ARKJUCMLHXMJEY-ZIAGYGMSSA-N	334.372	1.412	50	40	EDGB	
CCCCN1C(=O)NC(=O)/C(=C(/C)NNC(=O)c2ccccc2)C1=O	9359785	OUYADFHJVPEDCA-ACCUITESSA-N	344.371	1.074	50	40	EDGB	
CCOc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCC(=O)OC	59334437	RHVQDWDPWDPJOL-JYRVWZFOSA-N	332.356	1.632	50	40	EDGB	
Cc1cc(=O)c(C(=O)NNC(=O)CC(C)C)nn1-c1ccccc1F	10160995	MBLGPGIRPPIRRV-UHFFFAOYSA-N	346.362	1.487	50	40	EDGB	
C[C@@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1ccco1	12909913	PVHHPTCBAUMWIT-LLVKDONJSA-N	331.328	1.356	50	40	EDGB	
O=C(CCC(=O)NNC(=O)c1cccs1)NCc1ccccc1	6282073	GLVLTUZBGSPGDS-UHFFFAOYSA-N	331.397	1.606	50	40	EDGB	
NNC(=O)c1ncoc1-c1ccc(I)cc1	226101322	YOTTZGZVOMAVNE-UHFFFAOYSA-N	329.097	1.550	50	40	EDGB	
O=C(CC(=O)N/N=C/c1cccc(O)c1)NCCc1ccccc1	59516039	FOOZGUSSNLUZCU-DEDYPNTBSA-N	325.368	1.591	50	40	EDGB	
COc1ccc(/C=N/NC(=O)CC(=O)NC2CCCCC2)c(OC)c1	59516050	JDFJBCKLPSDIDF-XDHOZWIPSA-N	347.415	1.993	50	40	EDGB	
CCOc1ncccc1C(=O)NNC(=O)COc1ccccc1C	17199212	QXAJUMCLJPASGA-UHFFFAOYSA-N	329.356	1.629	50	40	EDGB	
CCOc1ccc(CC(=O)NNC(=S)NC)cc1Br	13687835	CKKOPZCHWBZUSQ-UHFFFAOYSA-N	346.250	1.515	50	40	EDGB	
O=C(CCC(=O)N/N=C1\C[C@H]2CC=C[C@H]12)N/N=C1\C[C@@H]2CC=C[C@H]12	5896533	FPNBGHWYIAPUGB-DFSLMAFMSA-N	326.400	1.903	50	40	EDGB	
COc1ccc(C(=O)NNC(=O)[C@@H]2OCCc3ccccc32)cc1	28540802	VBXKOWLQABCHOC-MRXNPFEDSA-N	326.352	1.770	50	40	EDGB	
C/C=c1\sc2n(c1=O)C(N)=C(C#N)[C@@H](C)C=2C(=O)c1ccccc1	5382406	CUWRDSYEVOYNIV-AWSYIDHJSA-N	337.404	1.044	50	40	EDGB	
CCOc1cc(/C=N/NC(=O)C(=O)N2CCCCCC2)ccc1O	59459707	WXSXUANLCMQLSZ-LDADJPATSA-N	333.388	1.644	50	40	EDGB	
N#C/C(=C\c1c(N2CCCCCC2)nc2ccccn2c1=O)C(N)=O	553040	MHLWRSIZFJDCFT-ACCUITESSA-N	337.383	1.467	50	40	EDGB	
O=C(NNC(=O)[C@H]1CCCO1)c1cccnc1Nc1ccccc1F	42968496	QMXDCTZXMPMSMR-CQSZACIVSA-N	344.346	1.904	50	40	EDGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1	5377418	QTFQTFQFRSDEAB-YBFXNURJSA-N	327.340	1.611	50	40	EDGB	
COc1ccccc1[C@@H]1C(C#N)=C(SCC(N)=O)NC(=O)[C@H]1C#N	2186132	AZEMTNJQXSOTML-HZMBPMFUSA-N	342.380	1.002	50	40	EDGB	
Cc1cc2c(c(=O)o1)[C@]1(C(=O)N(C)c3ccccc31)C(C#N)=C(N)O2	2430614	DJTRUVVBTYLDDE-GOSISDBHSA-N	335.319	1.297	50	40	EDGB	
O=C(NN[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccncc1	100663685	RIOGHTWAAUZFAY-CYBMUJFWSA-N	344.758	1.302	50	40	EDGB	
C/C(N)=C(\C#N)C(=O)CSc1nnc(Cc2cccs2)n1C	104423733	IJFSJVCTAHFUHZ-LUAWRHEFSA-N	333.442	1.885	50	40	EDGB	
O=C(N/N=C/c1ccccc1F)c1c(O)c2c([nH]c1=O)CCCC2	16946728	NMYRUJQOBMSLHD-DJKKODMXSA-N	329.331	1.862	50	40	EDGB	
Cn1c(CC(=O)NNC(=S)NC2CCCCC2)nc2ccccc21	5267060	UHKIJGYMPHICOX-UHFFFAOYSA-N	345.472	1.944	50	40	EDGB	
N#C/C(=C\C=C\c1ccccc1)C(=O)NCCCN1CCOCC1	15230286	KTYMFTBLHJSWOS-FNARSPSRSA-N	325.412	1.988	50	40	EDGB	
NNC(=O)[C@@H]1Sc2nnc(C(F)(F)F)n2N[C@H]1c1ccccc1	27028454	RLUQTPCZCYMWIP-JGVFFNPUSA-N	344.322	1.046	50	40	EDGB	
Cc1nn(C)c(F)c1/C=N/NC(=O)COc1ccc(F)cc1F	252499598	SCIGFLOHXGIANI-NGYBGAFCSA-N	326.278	1.675	50	40	EDGB	
COc1ccc(O)c(/C=N/NC(=O)COc2ccccc2C#N)c1	346860	NKSKDEVTBUSUSY-VXLYETTFSA-N	325.324	1.802	50	40	EDGB	
NC(=O)[C@H](NNC(=O)c1ccccc1-n1cccc1)c1ccccc1	26221878	AMMSQHNJCFZSMS-QGZVFWFLSA-N	334.379	1.938	50	40	EDGB	
Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)c(C)c1	3423842	HZYYEUVQMDKQFD-UHFFFAOYSA-N	326.352	1.921	50	40	EDGB	
O=C(CCC1CCCC1)NNC(=O)C1CCN(c2ncccn2)CC1	65548252	GCDWSAPPVIWYPC-UHFFFAOYSA-N	345.447	1.811	50	40	EDGB	
O=C(NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O)c1ccc2c(c1)OCO2	4651687	PBEROEOSOCWTCU-MNOVXSKESA-N	334.328	1.067	50	40	EDGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCC1)c1cccc(F)c1	5868647	CRBFLDAQFGXCIE-UHFFFAOYSA-N	327.381	1.638	50	40	EDGB	
O=C1Nc2ccccc2/C1=N\NC(=O)c1[nH]ncc1Br	18118820	GMTKKJSRBJEHFT-UHFFFAOYSA-N	334.133	1.258	50	40	EDGB	
Cc1cccc(/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)c1	8106597	VTYJHANKQSNNFQ-GZTJUZNOSA-N	331.397	1.424	50	40	EDGB	
Cc1ccc(S(=O)(=O)NS(=O)(=O)CCCCCl)cc1	3202999	JRNYRKOZDHLFRR-UHFFFAOYSA-N	325.839	1.622	50	40	EDGB	
O=C(O)CCC(=O)NNC(=O)c1ccccc1OCc1ccccc1	7610982	FRWMJWNSJDJOHE-UHFFFAOYSA-N	342.351	1.891	50	40	EDGB	
COc1ccc(/C=C/C(=O)NNC(N)=S)cc1Br	62714525	XMAXXJJQLYJFJF-HWKANZROSA-N	330.207	1.335	50	40	EDGB	
COc1ccc2oc(=O)c(/C(N)=N/NC(=O)c3ccncc3)cc2c1	4170997	DMAAXXUZYJLPLV-UHFFFAOYSA-N	338.323	1.247	50	40	EDGB	
CCOCCCNC(=O)/C(C#N)=C\c1cc(OC)c(O)c(OC)c1	6489189	DDLMURNWTMNBDG-JYRVWZFOSA-N	334.372	1.859	50	40	EDGB	
CO[C@@H](C(=O)N/N=C/c1ccc(N2CCOCC2)o1)c1ccccc1	408994483	HUKDBUFDNBNFMS-HNMKQIAWSA-N	343.383	1.954	50	40	EDGB	
Cc1nc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ncc1C(=O)NN	225403897	XOBJFSOULXQENS-UHFFFAOYSA-N	342.359	1.564	50	40	EDGB	
COc1cc(C=NNC(N)=O)ccc1Oc1ccc([N+](=O)[O-])cn1	253483591	IHLQAJIMHLTAQN-UHFFFAOYSA-N	331.288	1.793	50	40	EDGB	
O=C(CC(=O)N/N=C\c1ccccc1C(=O)O)NCc1ccccc1	4905627	PCAIZAQCOMFOGD-NDENLUEZSA-N	339.351	1.541	50	40	EDGB	
COc1cccc(C(=O)NC(=S)NNC(=O)c2ccncc2)c1	6647346	OQKRKSZIKVQAIK-UHFFFAOYSA-N	330.369	1.040	50	40	EDGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)N/N=C/c1ccc3c(c1)OCO3)OC2=O	5071710	CNCVZNPURRVSBS-HFIMWOPNSA-N	344.367	1.987	50	40	EDGB	
CN(C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CC1(C)OCCO1	408995485	JPKSFGKUJONGKF-MHWRWJLKSA-N	336.348	1.264	50	40	EDGB	
COc1cc(/C=N/NC(N)=O)ccc1OCc1ccc(C(=O)O)o1	33741474	KZDLLRXZQAQUKC-REZTVBANSA-N	333.300	1.568	50	40	EDGB	
C/C(=N\NC(=O)Cc1cc(O)n[nH]1)c1ccc(Br)cc1	16712316	LDGHRMWDWZZAHE-OVCLIPMQSA-N	337.177	1.961	50	40	EDGB	
COc1ccccc1/C=N/NC(=O)c1c(Br)cnn1C	355690	LZTNSYZPIAKWDR-VIZOYTHASA-N	337.177	1.955	50	40	EDGB	
Nc1nnn(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)n1	548425	AVOVQYYQENQETH-KEBDBYFISA-N	345.366	1.712	50	40	EDGB	
CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NNC(C)=O	23198853	IDFOAZZLSYXAFT-GFCCVEGCSA-N	343.836	1.359	50	40	EDGB	
C=CCCO[C@@H](C)C(=O)NNC(=O)c1cc(Br)cn1C	58014510	UGAJDEIHMJNSKN-VIFPVBQESA-N	344.209	1.530	50	40	EDGB	
COc1ccc(C(=O)NC(=S)NNC(=O)c2cccnc2)cc1	2316427	YJWSZVDVDGMXOF-UHFFFAOYSA-N	330.369	1.040	50	40	EDGB	
CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccc(C#N)c2)c1	31675716	QRHOCMXTEHBEAH-UHFFFAOYSA-N	343.364	1.037	50	40	EDGB	
NNC(=O)c1cc[n+](CC(=O)Nc2ccccc2C(F)(F)F)cc1	226823522	ZWHZMBNREGAMLX-UHFFFAOYSA-O	339.297	1.235	50	40	EDGB	
CC1=C2CC[C@H](C)C[C@]23[C@H]2C(=O)OC(=O)[C@@H]2[C@@H]1[C@H]1C(=O)OC(=O)[C@H]13	239402723	RCLQIVSRMJYTOM-RVCSBENHSA-N	330.336	1.384	50	40	EDGB	
COCC1=C(C(=O)OC)[C@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O1	4189079	WWZQENGQVOCLCU-CYBMUJFWSA-N	345.311	1.476	50	40	EDGB	
Cc1ccc(S(=O)(=O)N/N=C2\C(=O)[C@H]3CC[C@H]2[C@H]3Cl)cc1	102890440	SVYVWQVKXFYNOJ-AMLXKIDDSA-N	326.805	1.846	50	40	EDGB	
CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1c(C)ccc2nsnc12	100107955	ZQOPMGRKZZDUJY-POHAHGRESA-N	325.353	1.792	50	40	EDGB	
CCOc1ccc(/C(C)=N/NC(=O)CC[C@H]2C(=O)NN=C2C)cc1	100233236	RMHBHBDQBQAZSB-CLXYIWAZSA-N	330.388	1.828	50	40	EDGB	
CC(=O)N/N=C/c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C	562998	ZTGWWKMYZKXXSX-RQZCQDPDSA-N	334.401	1.212	50	40	EDGB	
O=C(CCc1ccc2c(c1)OCO2)NNC(=O)c1ccccc1O	10785154	ADXVAUHPJCJWDL-UHFFFAOYSA-N	328.324	1.515	50	40	EDGB	
O=C(Cc1ccccc1)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	4702538	DOEQLYKJCQRIRA-CXUHLZMHSA-N	344.283	1.901	50	40	EDGB	
C#CCN1C(=O)/C(=N/NC(=O)CNc2cccc(C)c2)c2ccccc21	18068715	VXQCLHJSZFPEID-FCDQGJHFSA-N	346.390	1.907	50	40	EDGB	
Cc1nn(CCC#N)c(C)c1CCC(=O)NNC(=O)c1ccncc1	44907532	CIGDHFZIJKTMQP-UHFFFAOYSA-N	340.387	1.202	50	40	EDGB	
C[C@H](Cn1cc([N+](=O)[O-])cn1)C(=O)N/N=C/c1ccc(F)s1	252478668	ARTGZCIXXFRCQH-VJYAUKRXSA-N	325.325	1.778	50	40	EDGB	
O=C(O)[C@@H]1C[C@H](Br)[C@H](Br)C[C@H]1C(=O)O	5103424	XXADRWGJEKUZPR-KAZBKCHUSA-N	329.972	1.709	50	40	EDGB	
O=C(N/N=C/c1ccc(O)c(O)c1O)c1cc(-c2ccccc2)n[nH]1	5695407	XRJJJCNMBNZCMM-GIJQJNRQSA-N	338.323	1.957	50	40	EDGB	
Cc1cc(C(=O)O)cc(S(=O)(=O)NNC(=O)CC(C)C)c1C	20628653	JGHAKQVHKOODKQ-UHFFFAOYSA-N	328.390	1.357	50	40	EDGB	
Cc1ccccc1NNC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O	102850821	RHIHKSBPULBNIU-OKILXGFUSA-N	327.384	1.779	50	40	EDGB	
Cc1cccc(OCC(=O)NC(=S)NNC(=O)c2ccncc2)c1	2135574	IFQGGAHTPJSUOS-UHFFFAOYSA-N	344.396	1.105	50	40	EDGB	
CCn1nc(C(=O)NNC(=O)CC(C)(C)C)c2ccccc2c1=O	12936208	PUBOPVJQULLEPA-UHFFFAOYSA-N	330.388	1.614	50	40	EDGB	
COc1c(/C=N/NC(N)=O)c(C[C@H](C)Cl)c(OC)c2c1OCO2	15085456	HVHSZKIKMGUEQY-LUQBEEKHSA-N	343.767	1.605	50	40	EDGB	
COc1ccc(-n2nnnc2SCC(=O)/C(C#N)=C(/C)N)cc1	104723665	DNEAOBBYSJVOHB-XFXZXTDPSA-N	330.373	1.088	50	40	EDGB	
COc1ccc(C(=O)NNC(=O)COc2ccc(C)cc2)cc1OC	1479731	BGSAOQABXCBUEV-UHFFFAOYSA-N	344.367	1.852	50	40	EDGB	
COc1ccc(Cl)cc1NC(=O)C(=O)NN=C1CCN(C)CC1	57211856	USDBWGXTEGEGCV-UHFFFAOYSA-N	338.795	1.485	50	40	EDGB	
Cc1cc(C)cc(OCC(=O)NNC(=O)COc2ccccc2)c1	1800472	LRPBGZLABNYJLG-UHFFFAOYSA-N	328.368	1.909	50	40	EDGB	
Nc1c(C(=O)NNC(=S)NCc2ccco2)sc2ncccc12	19894298	HPRXNGOQOMJICL-UHFFFAOYSA-N	347.425	1.781	50	40	EDGB	
C[C@H]1CCc2sc(C(=O)NNC(=O)[C@@H](C)S(C)(=O)=O)cc2C1	44950269	FKFMKTXPEDEWOO-DTWKUNHWSA-N	344.458	1.067	50	40	EDGB	
COc1ccc(OC)c(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c1	40846487	MJZNJTNUJSOBTK-AEUYPJEVSA-N	342.351	1.994	50	40	EDGB	
CCOc1cc(/C=N/NC(=O)Cn2c([N+](=O)[O-])cnc2C)ccc1O	566634	YXTCDFCGKSNBBD-REZTVBANSA-N	347.331	1.354	50	40	EDGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)N(CC)CC)cc1OCC	3112735	HLJGQBKBBZQLSP-CPNJWEJPSA-N	347.415	1.969	50	40	EDGB	
CCCCOc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)cc1	3623606	AIECOBCWGNBENV-UONOGXRCSA-N	345.848	2.000	50	40	EDGB	
N#CC1=C(N)Oc2nc(O)[nH]c(=O)c2[C@H]1c1cccc2ccccc12	70852	IHHFRYVUJAWYCU-ZDUSSCGKSA-N	332.319	1.847	50	40	EDGB	biogenic,in-vitro
COc1ccc2c(c1)C=C[C@H]1OC(C(C)=O)(C(C)=O)C(C=O)=CN21	1607938	RAMRVANWNQURIR-QGZVFWFLSA-N	327.336	1.884	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccc(F)cc1)c1cc2c(s1)CCC2	7379586	XINBBKWMZPNUAS-UHFFFAOYSA-N	340.401	1.999	50	40	EDGB	
O=C(N/N=C/c1ccc[nH]1)c1cccc(S(=O)(=O)N2CCCC2)c1	3525263	RMWIRRMXRFXISK-LDADJPATSA-N	346.412	1.563	50	40	EDGB	
O=C(CCC(=O)N/N=C/c1ccc([N+](=O)[O-])o1)NCc1ccccc1	4523887	FKRKQZWHKYSDJL-WOJGMQOQSA-N	344.327	1.735	50	40	EDGB	
N#CCC(=O)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O	409086856	HKPWMLIQHRLAQH-WLRTZDKTSA-N	327.094	1.427	50	40	EDGB	
CS(=O)(=O)c1ccccc1C(=O)NNc1ccccc1[N+](=O)[O-]	32899395	FKHDYUDVYXIVAI-UHFFFAOYSA-N	335.341	1.755	50	40	EDGB	
CCOC(=O)/C(C#N)=C/c1c(N2CCCC2)nc2ccccn2c1=O	551471	OUOGVFKJVAVMBE-ACCUITESSA-N	338.367	1.765	50	40	EDGB	
C/C(N)=C(\C#N)C(=O)COC(=O)Cc1ccc(Br)cc1	103098844	KSPUCJSUFXBEQD-XFXZXTDPSA-N	337.173	1.860	50	40	EDGB	
COc1ccc(/C=N/NC(=O)CSc2ncccn2)c(OC)c1	255962911	AQORYHZFNJFIFN-GIJQJNRQSA-N	332.385	1.736	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1	13006307	AZIQOMGJNXKMLO-MLGOLLRUSA-N	333.413	1.210	50	40	EDGB	
O=C(CSc1ccncc1)NNC(=O)[C@@H]1COc2ccccc2O1	41781288	NJGPGLRAEXYILJ-AWEZNQCLSA-N	345.380	1.161	50	40	EDGB	
O=C(O)c1ccc(/C=N\NC(=O)[C@@H]2COc3ccccc3O2)cc1	31870173	AKBHTPYSARLOIW-QJVAEYLJSA-N	326.308	1.675	50	40	EDGB	
O=C1NC(=O)N2C[C@H](CBr)O[C@@H]2[C@@H]1c1ccccc1	5395458	DFDGSUXSGLUAGM-HOSYDEDBSA-N	325.162	1.442	50	40	EDGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)Nc1cccc(C)c12	12412696	SLFQZXLNJFPHPS-SFHVURJKSA-N	339.351	1.746	50	40	EDGB	
NC(=O)N[C@@H](CC(=O)NNC(=O)c1ccccc1)c1ccccc1	12937802	WCCGRJREBBBXAA-AWEZNQCLSA-N	326.356	1.247	50	40	EDGB	
CCCCc1ccc(N2C[C@@H](C(=O)NNC(=O)C3CC3)CC2=O)cc1	40068920	DPXXQQOBRTYHPR-HNNXBMFYSA-N	343.427	1.940	50	40	EDGB	
Cc1ccc(C(=O)NNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	264966	MQXNGYSPDOMMQG-UHFFFAOYSA-N	335.341	1.527	50	40	EDGB	
O=C(CNC(=O)c1ccc2c(c1)OCCO2)N/N=C\c1cccs1	33352134	IAOCNNYYXOSTJF-NVMNQCDNSA-N	345.380	1.399	50	40	EDGB	
O=C(NNC(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1nn(-c2ccccc2)cc1O	103911209	GGLOKGBYPBECFH-OBJOEFQTSA-N	340.383	1.775	50	40	EDGB	
Cc1cc(C(=O)NNC(=O)CNC(=O)Cc2ccccc2)c(C)o1	5823439	VXDXOCJUHSTQHU-UHFFFAOYSA-N	329.356	1.016	50	40	EDGB	
CC1(CC(=O)N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)OCCO1	408756107	TXTFMNIAAYBUJI-RIYZIHGNSA-N	338.276	1.106	50	40	EDGB	
NC(=O)N/N=C(\C[C@H]1C(=O)Oc2ccccc21)c1ccccc1O	17215998	LPFOIVNYAIWPNX-MCMJHOFTSA-N	325.324	1.858	50	40	EDGB	
Cn1nc(C(=O)NNC(=O)c2cccc(F)c2)c2ccccc2c1=O	2725759	FVZMLMRWSWGPPX-UHFFFAOYSA-N	340.314	1.147	50	40	EDGB	
Cc1occc1C(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	318671	VPUGNDUDZPJJMB-UHFFFAOYSA-N	325.302	1.120	50	40	EDGB	
C=C1c2ccccc2C(=O)N1CC(=O)NNC(=O)c1cccc(O)c1	11675739	KTVKPCUJHRUGNO-UHFFFAOYSA-N	337.335	1.280	50	40	EDGB	
O=C(NNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1cccc(F)c1	408614577	DWDPBEDSMCVVBI-ZDUSSCGKSA-N	341.342	1.640	50	40	EDGB	
CCOc1cccc(/C=N/NC(=O)C(=O)N2CCCCCC2)c1O	4525857	ZZFDYYWKVCZSFH-LDADJPATSA-N	333.388	1.644	50	40	EDGB	
COc1cc(/C=N/NC(=O)c2ccccc2N)c([N+](=O)[O-])cc1OC	408726099	PUBDDQKIKIJWHC-GIJQJNRQSA-N	344.327	1.958	50	40	EDGB	
CCCCC(=O)NN/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O	2278867	JENMFULYVYNKMD-BENRWUELSA-N	346.412	1.129	50	40	EDGB	
COc1ccc(C(=O)NNC(=O)c2ccc(C#N)cc2)cc1OC	15793297	KSEUXNFUNDDOAH-UHFFFAOYSA-N	325.324	1.650	50	40	EDGB	
C/C(CC(=O)Nc1ccc(C)cc1)=N\NC(=O)C(=O)NCC(C)C	5363165	FSRYSWKWEPTJBW-DEDYPNTBSA-N	332.404	1.588	50	40	EDGB	
CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2cccnc2)c1O	36189851	ZXRDVWAOCPTQNC-RQZCQDPDSA-N	330.300	1.858	50	40	EDGB	
Cc1cccc(C(=O)[C@H](I)S(C)(=O)=O)c1	96517931	VQNSGUVJANUAFJ-SNVBAGLBSA-N	338.166	1.983	50	40	EDGB	
CC[C@H](C)[C@H](NC(N)=O)C(=O)NNC(=S)Nc1ccccc1C	5689407	OOLXUBLLOMQEIX-CABZTGNLSA-N	337.449	1.396	50	40	EDGB	
Cc1nnc(NNC(=O)COc2c(Cl)cccc2Cl)[nH]c1=O	11547852	VDXVYIUDVGELPH-UHFFFAOYSA-N	344.158	1.302	50	40	EDGB	
COc1ccc2c(c1OC)C(=O)O[C@@H]2NNC(=O)c1ccncc1	553003	OKIFXNSVFQJPHW-HNNXBMFYSA-N	329.312	1.202	50	40	EDGB	
COc1ccc(-n2cc(C(=O)NN)c([C@@H](O)c3ccccc3)n2)cc1	27987098	BRSBUWFKXQVTCM-KRWDZBQOSA-N	338.367	1.566	50	40	EDGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1)C(N)=O	4508559	NFLIPUNIXXBCDH-JLHYYAGUSA-N	328.349	1.847	50	40	EDGB	
COCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2ccc(O)cc2C)C1=O	9302931	VGZYFPNCUHJBIA-GDNBJRDFSA-N	341.367	1.852	50	40	EDGB	
COc1cc(OC)c(C2C(C#N)=C(N)SC(N)=C2C#N)c(OC)c1	19816542	YRRVELKJCUWFCZ-UHFFFAOYSA-N	344.396	1.931	50	40	EDGB	
COc1ccc(NCC(=O)N/N=C/c2cc(OC)ccc2O)cc1	218813	CWWIWXHBKKVSPO-VXLYETTFSA-N	329.356	1.972	50	40	EDGB	
CC(C)=NNC(=O)CN(c1cccnc1)S(=O)(=O)c1ccccc1	19952796	ILLOYGCZVDNDDU-UHFFFAOYSA-N	346.412	1.789	50	40	EDGB	
Cc1cc(C(=O)NNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)ccc1[N+](=O)[O-]	2784170	PRNDCMQWJSWHLQ-NEPJUHHUSA-N	347.327	1.331	50	40	EDGB	
Cc1cc(C(=O)NNC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)ccc1[N+](=O)[O-]	2784169	PRNDCMQWJSWHLQ-RYUDHWBXSA-N	347.327	1.331	50	40	EDGB	
CCC(CC)=NNC(=O)C(=O)NCCc1ccc(OC)c(OC)c1	59515696	DXZQADNJPSSKEC-UHFFFAOYSA-N	335.404	1.655	50	40	EDGB	
COc1cc(/C=N/NC(=O)CN(C)C(=O)c2ccccc2)ccc1O	3081906	LSJUEAVYCRCTCO-YBFXNURJSA-N	341.367	1.623	50	40	EDGB	
C/C(N)=C(\C#N)C(=O)CSc1nnc(Cc2ccccc2F)n1N	105819247	ZAAHJWCQPHIFAY-LUAWRHEFSA-N	346.391	1.139	50	40	EDGB	
CCCNC(=O)COC(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C	9604498	LEXFFKUZFMVCBG-MHWRWJLKSA-N	347.415	1.728	50	40	EDGB	
O=C(CCl)N(c1ccccc1Cl)[C@@H]1CS(=O)(=O)C[C@H]1O	217385029	LTGIRBFKKSFMKE-GHMZBOCLSA-N	338.212	1.070	50	40	EDGB	
O=C(CCC(=O)N/N=C1\C[C@@H]2CC=C[C@H]12)N/N=C1\C[C@H]2CC=C[C@@H]12	17066778	FPNBGHWYIAPUGB-VDRGBLDQSA-N	326.400	1.903	50	40	EDGB	
C/C(N)=C(/C#N)C(=O)COC(=O)/C=C/c1ccc2c(c1)OCCO2	5307132	JZKXCOLMFJFXIO-SDGZKQAHSA-N	328.324	1.340	50	40	EDGB	
O=C(CC[C@@H]1CCCO1)NNC(=O)c1cc(Br)c[nH]1	46320201	MODOMBZZPVTIMB-VIFPVBQESA-N	330.182	1.497	50	40	EDGB	
COc1cc(/C=N/NC(=O)c2cccnc2)c([N+](=O)[O-])cc1OC	499284	YFIHAAYMBBZXGD-RQZCQDPDSA-N	330.300	1.771	50	40	EDGB	
Cc1cc(C)c2c(c1)/C(=N/NC(=O)C[C@H]1CCS(=O)(=O)C1)C(O)=N2	52502720	VBOLNTBAVGIHOP-LLVKDONJSA-N	349.412	1.550	50	40	EDGB	
C[C@H]1C(=O)NN=C1C(=O)N/N=C\C(Br)=C\c1ccccc1	100466420	PQPYKRLDVAMWBH-IRXMTYHUSA-N	349.188	1.646	50	40	EDGB	
Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccco3)CC2=O)cc1	26812012	PYKAJYXNAJPZHJ-GFCCVEGCSA-N	327.340	1.402	50	40	EDGB	
CC1(CC(=O)N/N=C/c2cc3c(cc2Cl)OCO3)OCCO1	5727793	MOMYUIGHEHBZEC-FRKPEAEDSA-N	326.736	1.672	50	40	EDGB	
NNC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCCC3	4901826	QVLTULSRHPJRHI-UHFFFAOYSA-N	347.444	1.197	50	40	EDGB	
N#C/C(=C\c1ccc(OCC(=O)NCc2ccco2)cc1)C(N)=O	408802406	DUZPCGGTQHDKOV-MDWZMJQESA-N	325.324	1.367	50	40	EDGB	
CSc1nn(C(=O)CCl)c(N)c1S(=O)(=O)c1ccccc1	10272941	ZSQOWCPPPPZNJD-UHFFFAOYSA-N	345.833	1.899	50	40	EDGB	
CN1CCC2(CC1)C(C#N)=C(N)Oc1n[nH]c(C(=O)OC(C)(C)C)c12	31276	ROWDLPKANCDNKV-UHFFFAOYSA-N	345.403	1.415	50	40	EDGB	
C/C(N)=C(\C#N)C(=O)CSc1nnnn1-c1cc(C)ccc1C	104807439	LNXINBXYLCIMPB-QXMHVHEDSA-N	328.401	1.697	50	40	EDGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)NCC(C)C)cc1OC	4359265	HXNXLDROFYMBEC-YBFXNURJSA-N	333.388	1.482	50	40	EDGB	
CCc1sc(C(=O)NNC(=O)CN2CCO[C@H](C)C2)cc1C	72290400	FEDLAGAUBYZBQH-LLVKDONJSA-N	325.434	1.101	50	40	EDGB	
Cc1ccc(C(=O)NCC(=O)NNC(=O)c2ccc(C)cc2)cc1	15904025	FLCZYCBTNNOEET-UHFFFAOYSA-N	325.368	1.494	50	40	EDGB	
COc1cc(CCC(=O)NNC(=O)c2cccnc2)cc(OC)c1	12985295	IIUAPMHQAIOOEN-UHFFFAOYSA-N	329.356	1.493	50	40	EDGB	
COC(=O)[C@@H]1[C@@H]2[C@@H](Br)C(=O)N(C(=O)OC(C)(C)C)[C@@H]21	26897454	IDBRBQSVIDEUTJ-XUTVFYLZSA-N	334.166	1.315	50	40	EDGB	
C#CCOc1ccc(OC)cc1/C=N/NC(=O)[C@H](O)c1ccccc1	409353112	GVDXUBAIGRUQHZ-JZQBQCRLSA-N	338.363	1.891	50	40	EDGB	
CS(=O)(=O)[C@H](I)[C@@H](O)c1ccc(F)cc1	96519190	VCPWPOZXNDEZEM-IUCAKERBSA-N	344.145	1.665	50	40	EDGB	
O=C(N/N=C1\C(=O)N(CN2CCCC2)c2ccccc21)c1ccccn1	20331864	AIGPIRUEALUWEL-FXBPSFAMSA-N	349.394	1.616	50	40	EDGB	
COc1ccc(C[C@H](N)C(=O)O)cc1N(CCCl)CCCl	1707259	ISBKXKSWUGYEPC-NSHDSACASA-N	335.231	1.934	50	40	EDGB	
Cc1cc2c(c(=O)n1CCO)[C@H](c1ccc(F)cc1)C(C#N)=C(N)O2	4851033	ROOSYXFLQXOCHR-OAHLLOKOSA-N	341.342	1.506	50	40	EDGB	
O=S1(=O)C[C@H](Cl)[C@H](NC(=S)OC[C@H](Cl)CCl)C1	59568595	BHUPKUYAZIKGBS-DSYKOEDSSA-N	340.681	1.128	50	40	EDGB	
O=C(Cc1c[nH]c2ccccc12)NNS(=O)(=O)c1ccc(F)cc1	7383935	NOMREENGBISGRB-UHFFFAOYSA-N	347.371	1.859	50	40	EDGB	
O=C(NNS(=O)(=O)c1cnc[nH]1)c1cc(Cl)cc(Cl)c1	71288475	ULEVLHMQIUXAEP-UHFFFAOYSA-N	335.172	1.340	50	40	EDGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1ccc(O)c(O)c1	409362193	IDUXLGHKHGBBJN-ZDLGFXPLSA-N	328.324	1.562	50	40	EDGB	
CS(=O)(=O)[C@H](I)C(=O)c1ccccc1F	96517923	FJWMGBWNCKKFEL-VIFPVBQESA-N	342.129	1.814	50	40	EDGB	
CN(C)c1ccc([C@@H]2C(C#N)=C(O)NC(=O)[C@H]2[n+]2ccccc2)cc1	4663300	HHIWBSAJJLGZPZ-SJORKVTESA-O	335.387	1.788	50	40	EDGB	
Cc1ccccc1-n1c(SCC(=O)NN)nc2ccccc2c1=O	6861270	FQHAUIUPJPDEOJ-UHFFFAOYSA-N	340.408	1.776	50	40	EDGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)ccc1O	20086742	AIUYJRVQTLLLOB-OAHLLOKOSA-N	339.351	1.626	50	40	EDGB	
C/C(CC(=O)NC[C@@H]1CCCO1)=N\NC(=O)c1ccc([N+](=O)[O-])cc1	101532360	UHKIMXQVORVHEG-BGARDKSCSA-N	348.359	1.386	50	40	EDGB	
CCOc1ncccc1C(=O)OCC(=O)NNC(=O)c1ccccc1	3297320	ZTYMOXKBFCFOMG-UHFFFAOYSA-N	343.339	1.098	50	40	EDGB	
O=C(COC(=O)c1cccnc1Cl)NNC(=O)c1cccs1	2639286	HWDSPNYYUKBLGM-UHFFFAOYSA-N	339.760	1.415	50	40	EDGB	
COc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c(OC)c1	3115027	FOJNFAWQSYNRAA-OXNWSPOFSA-N	342.351	1.994	50	40	EDGB	
CCOc1ncccc1C(=O)NNC(=O)COc1cccc(F)c1	14069629	PDPCOIMSOYMMLH-UHFFFAOYSA-N	333.319	1.459	50	40	EDGB	
CN(c1ccc(C(=O)N/N=C/c2ccc(F)cc2)cc1)S(C)(=O)=O	409115717	JVJCDASQZGZZEY-WOJGMQOQSA-N	349.387	1.985	50	40	EDGB	
COc1ccc(O)c(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)c1	409359799	BYKYEOCEKAPBRZ-ODLFYWEKSA-N	342.351	1.865	50	40	EDGB	
CCNC(=O)NNC(=O)c1cccc(I)c1	49183651	GLECRLFEACGTTI-UHFFFAOYSA-N	333.129	1.255	50	40	EDGB	
CC(=O)Nc1ccc(N/N=C2/C(=O)N(C)C(=O)C(C#N)=C2C)cc1	101114658	BUWYDSOHYSBRJL-XSFVSMFZSA-N	325.328	1.252	50	40	EDGB	
O=C(CN1CCOCC1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	103740221	SVSZLVJCQPFJSH-OVCLIPMQSA-N	326.740	1.031	50	40	EDGB	
C/C(=N\NC(=O)c1cc(C)nc2c1c(C)nn2C)c1ccnn1C	17066601	IWHJYWOUWDIFNZ-VXLYETTFSA-N	325.376	1.473	50	40	EDGB	
Cc1cc(C)n(CC(=O)NNS(=O)(=O)c2ccccc2Cl)n1	7386841	FORHVQKWESIOCF-UHFFFAOYSA-N	342.808	1.163	50	40	EDGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc(Cl)c1O	409258717	ZMRNCOMRCHQZDY-PCYPHTAMSA-N	341.795	1.809	50	40	EDGB	
CNC(=O)/C(C#N)=C1\S[C@@H](CC(=O)O)C(=O)N1c1ccccc1	4539966	FPNMPBSGTZJLIK-SAIXKJTDSA-N	331.353	1.091	50	40	EDGB	
Cc1ccc(C)c(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)c1	7428719	VYMLJVZIPNZETB-UHFFFAOYSA-N	348.380	1.655	50	40	EDGB	
COC(=O)c1ccccc1S(=O)(=O)NNC(=O)OC(C)(C)C	7405463	MFOLEDMMURDHOP-UHFFFAOYSA-N	330.362	1.191	50	40	EDGB	
COc1ccccc1OCC(=O)NNC(=O)CCc1ccccc1	4996281	UXZSYNISNFWIKI-UHFFFAOYSA-N	328.368	1.854	50	40	EDGB	
COc1cccc(CO[C@@H](C)C(=O)NNC(=O)c2c[nH]nc2C)c1	69697457	DFDZZQJLFXYSHT-NSHDSACASA-N	332.360	1.093	50	40	EDGB	
COc1cc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)ccc1O	5532880	LHSIIRVCTBSGCC-ZGXHQARYSA-N	341.367	1.728	50	40	EDGB	
CCCCn1nnnc1SCC(=O)NNC(=O)C1CCCCC1	4882973	FWRCIWCCEMCGEH-UHFFFAOYSA-N	340.453	1.293	50	40	EDGB	
O=C(NNC(=S)NCc1cccs1)[C@@H]1COc2ccccc2O1	8074749	UCYZIIDZOQONOM-ZDUSSCGKSA-N	349.437	1.583	50	40	EDGB	
N#C/C(=C\c1c(F)cccc1Cl)C(=O)N[C@H]1CCS(=O)(=O)C1	26966678	OVYGLDPWUMNMHD-ZKXNXJMVSA-N	342.779	1.689	50	40	EDGB	
O=C(N/N=C/c1ccc(F)cc1)c1c(O)c2c([nH]c1=O)CCCC2	16946741	YEDKAXVTELYTTA-DJKKODMXSA-N	329.331	1.862	50	40	EDGB	
C[C@H](Oc1ccccc1)C(=O)N/N=C\c1ccc(OCC(N)=O)cc1	32112049	PMVAFCNKVZCXDL-GHOUAXAESA-N	341.367	1.468	50	40	EDGB	
COc1cc(C=NNC(=O)CNC(=O)c2ccccc2)ccc1O	252614207	JGXJXTXKNQSLQK-UHFFFAOYSA-N	327.340	1.281	50	40	EDGB	
CCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccccc2O)s1	191545	UDNWHPKTTXQRAA-CXUHLZMHSA-N	347.400	1.675	50	40	EDGB	
COc1ccc2c(c1)C=C[C@@H]1OC(C(C)=O)(C(C)=O)C(C=O)=CN21	5498692	RAMRVANWNQURIR-KRWDZBQOSA-N	327.336	1.884	50	40	EDGB	
CCOC(=O)N1CCN(/C=C(/C#N)C(=O)NCc2ccccc2)CC1	101385989	HZSHYRNUTMEAQH-PEZBUJJGSA-N	342.399	1.484	50	40	EDGB	
O=C1NC[C@H](c2ccccc2)[C@H]1C(=O)N/N=C/c1ccc([N+](=O)[O-])o1	4504216	PLNNXJWQHDXJCI-GJGOTCKASA-N	342.311	1.168	50	40	EDGB	
C[C@@H](Oc1ccccc1)C(=O)NNC(=O)Cc1ccc([N+](=O)[O-])cc1	4589129	VURMJMPPWJLHCU-GFCCVEGCSA-N	343.339	1.752	50	40	EDGB	
Cn1cc(C(=O)NNS(=O)(=O)c2cccc(F)c2)c2ccccc21	7907332	VNSKIBGJCPZXLM-UHFFFAOYSA-N	347.371	1.941	50	40	EDGB	
CC(C)(C)c1ccc(C(=O)NNC(=O)CN2CCSC2=O)cc1	7959438	TYOLRWBPACTOSS-UHFFFAOYSA-N	335.429	1.914	50	40	EDGB	
Cc1n[nH]cc1C(=O)NNC(=O)CCc1ncc(-c2ccccc2)o1	69739374	JNWQHQAVHZATHV-UHFFFAOYSA-N	339.355	1.767	50	40	EDGB	
CCC(=O)NNC(=O)[C@H](C)Sc1nc2ccsc2c(=O)n1C	69705406	BKEJGOAVDQMPCU-ZETCQYMHSA-N	340.430	1.033	50	40	EDGB	
COC(=O)NNC(=O)c1ccc(C)c(I)c1	358785	DVNJQCXYACOCQC-UHFFFAOYSA-N	334.113	1.600	50	40	EDGB	
C/C(NN(C)c1ncc(C(F)(F)F)cc1Cl)=C(\C#N)C(N)=O	100259299	LNSPMZIWLPNTJZ-VURMDHGXSA-N	333.701	1.977	50	40	EDGB	
CN(C)c1ccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1	59515603	OOHNUBGXMYPQEU-KGENOOAVSA-N	338.411	1.562	50	40	EDGB	
C=C1c2ccccc2C(=O)N1CC(=O)NNC(=O)c1ccc(F)cc1	12908004	YIFFEMMOMIOSHB-UHFFFAOYSA-N	339.326	1.713	50	40	EDGB	
COc1cccc(C(=O)NNC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)O)c1	4651850	DUMBLRUBVNUKHN-CABCVRRESA-N	346.383	1.903	50	40	EDGB	
CCc1nnsc1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	45824649	OHKMZXMEPPFUNE-QMMMGPOBSA-N	338.364	1.468	50	40	EDGB	
COC(=O)c1ccc(C=NNC(=O)Cn2nnc3ccccc32)cc1	16677861	VPMGMSLQIYBBIG-UHFFFAOYSA-N	337.339	1.368	50	40	EDGB	
CCOC(=O)c1ccc(N2N=C(N)[C@@H](Br)C2=O)cc1	16687844	GCRSMQPFPGNSPR-SECBINFHSA-N	326.150	1.246	50	40	EDGB	
Cc1cc(C)n2nc(SCC(=O)N/N=C/c3ccncc3)nc2n1	360862	GCBWVBKWGWMXCC-CAOOACKPSA-N	341.400	1.379	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1	318693	TUFMUUHGNZMQFQ-UHFFFAOYSA-N	339.304	1.357	50	40	EDGB	
CCc1ccccc1N1C(=O)C[C@@H](NNC(=O)c2ccccc2)C1=O	100097097	FOQGBTZWDIGXGM-OAHLLOKOSA-N	337.379	1.816	50	40	EDGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1	408971116	MISNCTLCOAQQFO-VJCPFXPRSA-N	337.376	1.077	50	40	EDGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCC1)c1ccc(F)cc1	408785210	ZWRRTAXQNRNVEJ-UHFFFAOYSA-N	327.381	1.638	50	40	EDGB	
CN(C(=O)NC(=O)Nc1ccc(C=C(C#N)C#N)cc1)S(C)(=O)=O	5573715	WVXWHCKQKSEMPE-UHFFFAOYSA-N	347.356	1.250	50	40	EDGB	
Cc1cc(=O)[nH]c(NN2[C@@H](Cl)C(=O)[C@H]2c2ccc([N+](=O)[O-])cc2)n1	16958245	LZCIRNHZRKIXBK-DGCLKSJQSA-N	349.734	1.504	50	40	EDGB	
COc1ccc(/C=N/NC(=O)CC(=O)NCc2cccnc2)cc1	17441127	NETRQOHNQWQGPK-UDWIEESQSA-N	326.356	1.247	50	40	EDGB	
CC(=O)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1	2064501	LOQPIVYZXKKQHO-UHFFFAOYSA-N	327.409	1.860	50	40	EDGB	
N#CCCCN1C(=O)/C(=N\NC(=O)c2ccccn2)c2ccccc21	100433965	YVRMMCGSSYJNAW-PGMHBOJBSA-N	333.351	1.866	50	40	EDGB	
C[C@@H](CNC(=O)CCBr)NC(=O)CCBr	2044103	QLGWJOAYVGAXIQ-ZETCQYMHSA-N	344.047	1.177	50	40	EDGB	
Cc1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccccc3N)C2=O)cc1	101128861	DFNXJNDAJMKPET-OAHLLOKOSA-N	338.367	1.144	50	40	EDGB	
Nn1cnnc1N/N=C\c1ccc(N(CCCl)CCCl)cc1	4822137	GXPNPUSLKOYRBG-MFOYZWKCSA-N	342.234	1.722	50	40	EDGB	
O=C(NNC(=O)[C@H]1CCCN1C(=O)c1cccs1)c1ccccn1	32975529	UJLGEZUTAKMEJR-GFCCVEGCSA-N	344.396	1.209	50	40	EDGB	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCl	3885233	ONGVSUJVNCFZDK-UHFFFAOYSA-N	332.809	1.193	50	40	EDGB	
O=C(NNC(=O)c1ccccc1F)c1cc(Br)c[nH]1	8123427	NOTYDVWQRQNAKQ-UHFFFAOYSA-N	326.125	1.991	50	40	EDGB	
Cc1cc(C)nc(NNC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)n1	65538294	DWWPRVKHVIPXEL-QGZVFWFLSA-N	326.356	1.708	50	40	EDGB	
CC(C)c1ccc(CCC(=O)NNC2CCS(=O)(=O)CC2)cc1	95996779	YJDNLPJRPPISGR-UHFFFAOYSA-N	338.473	1.941	50	40	EDGB	
COc1ccc(/C(=N\NC(N)=O)[C@@H](O)c2ccc(OC)cc2)cc1	5720558	TZHQPEMKTWQOSH-DAMBIUFKSA-N	329.356	1.810	50	40	EDGB	
CC(=O)N[C@H](Cc1ccccc1)C(=O)NN(CCCl)CCCl	6562923	ISNAOUSOTIPFLE-CQSZACIVSA-N	346.258	1.545	50	40	EDGB	
C#CCOc1ccc(/C=N/NC(C)=O)cc1I	409010097	JMIZQXQHZYUCDH-RIYZIHGNSA-N	342.136	1.773	50	40	EDGB	
Cc1cc(C)n(CC(=O)NNS(=O)(=O)c2cccc(Cl)c2)n1	12973741	LRWQKGSURNWLBT-UHFFFAOYSA-N	342.808	1.163	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccc(F)cc1F)Nc1ccccc1	8772396	LDPXPZJPMJIJNE-UHFFFAOYSA-N	327.312	1.980	50	40	EDGB	
COCc1cc(C)n(CC(=O)N/N=C/c2cccs2)c(=O)c1C#N	564559	XITQHCSMOMQJJM-QGMBQPNBSA-N	344.396	1.387	50	40	EDGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccco2)cc1	16309293	IWQCLUBXSLJUEN-YBEGLDIGSA-N	335.385	1.359	50	40	EDGB	
O=C(NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2)c1cccc(Cl)c1	4651763	YNIJWSOZPHETTQ-DTVLGXAZSA-N	336.775	1.848	50	40	EDGB	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O	6241820	AVKVTROIMBJUTG-BVIHXZOGSA-N	348.786	1.553	50	40	EDGB	
O=C1[C@@H](Br)[C@@H]2[C@@H]3[C@H]4C[C@@H]2[C@H]1[C@H]4C(=O)[C@@H]3Br	100012108	ASRUXQHQIUKJHH-IDEBWGIXSA-N	334.007	1.793	50	40	EDGB	
COC(=O)/C(CC(=O)C(C)(C)C)=N/NC(=O)c1ccc(OC)cc1	16102402	OXFHNMPKTPCISL-QGOAFFKASA-N	334.372	1.959	50	40	EDGB	
CCOc1ccccc1C(=O)NNC(=O)CNc1ccccc1OC	12550322	RLXGAUCHFXMBGF-UHFFFAOYSA-N	343.383	1.967	50	40	EDGB	
C#CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1OC	409128682	TVBDCBYEXPKKKL-MRXNPFEDSA-N	336.351	1.957	50	40	EDGB	
Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccco3)CC2=O)cc1C	408615773	SCIQFBVJMQAPJG-CYBMUJFWSA-N	341.367	1.711	50	40	EDGB	
COCCCNC(=O)CC(=O)N/N=C\c1cccc(Cl)c1Cl	408978041	GUDNEMXQGYGMLM-NVMNQCDNSA-N	346.214	1.986	50	40	EDGB	
Cc1ccc(C(=O)N/N=C\c2cc3c(cc2[N+](=O)[O-])OCO3)cn1	4724725	QJHIEKWLXWTZHR-IDUWFGFVSA-N	328.284	1.791	50	40	EDGB	
C[C@H](Oc1ccccc1)C(=O)NNc1nc(Cl)nc(N(C)C)n1	360593	FLDAYDKDPAEDLF-VIFPVBQESA-N	336.783	1.502	50	40	EDGB	
C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1cccc([N+](=O)[O-])c1C	25581686	FYLRBKZDXQWSCU-OVCLIPMQSA-N	347.291	1.209	50	40	EDGB	
CC[C@H](C(=O)NN/C(C)=C1\C(=O)NC(=O)SC1=O)c1ccccc1	95101241	JLEVBGZCZUWZFM-UTEVDWOZSA-N	347.396	1.585	50	40	EDGB	
O=C(CCBr)NNC(=O)c1cc(Cl)nc(Cl)c1	2243836	DWOOAGYXBFTLGG-UHFFFAOYSA-N	340.992	1.934	50	40	EDGB	
CCOC(=O)NNC(=O)[C@H](CCSC)NC(=O)c1ccccc1	21771189	FYZLWLNWACVPRV-LBPRGKRZSA-N	339.417	1.315	50	40	EDGB	
CCc1sc(C(=O)NNC(=O)CN2CCC(CO)CC2)cc1C	71914542	IVGSYXJVYQRYTH-UHFFFAOYSA-N	339.461	1.084	50	40	EDGB	
CS(=O)(=O)[C@@H](I)[C@@H](O)c1ccc(N)cc1	96519171	OFYPPZLAJPIEMA-DTWKUNHWSA-N	341.170	1.108	50	40	EDGB	
O=C1CNC(=O)N1N1C(=O)CS[C@@H]1C1=CC=C(Cl)C[C@@H]1Cl	74996	BOKADXHVAOHYBT-GZMMTYOYSA-N	348.211	1.415	50	40	EDGB	
COc1ccc2c(c1)/C(=N/NC(=O)c1ccccc1[N+](=O)[O-])C(=O)N2	546546	INOVIFZONDNZJQ-UHFFFAOYSA-N	340.295	1.690	50	40	EDGB	
CCC[C@@H](CCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O	1823001	DEXHTWSHXVJWJG-JTQLQIEISA-N	337.332	1.637	50	40	EDGB	
O=C(NNC1=C(C(=O)C(F)(F)F)CCC1)[C@@H](O)c1ccccc1	408563568	ODMRVZYLPVZXKF-LBPRGKRZSA-N	328.290	1.910	50	40	EDGB	
COc1cc(C(=O)NNC(=O)c2cccc(F)c2)cc(OC)c1OC	6054052	VMUHUBFPCDZDQH-UHFFFAOYSA-N	348.330	1.926	50	40	EDGB	
CC(C)=NNC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O	408779069	QDNJMGSFLPJCGT-UHFFFAOYSA-N	331.825	1.926	50	40	EDGB	
COC(=O)COc1ccc(/C=N/NC(=O)CNc2ccccc2)cc1	409383495	ZBUYAKMPSPKCHM-RGVLZGJSSA-N	341.367	1.801	50	40	EDGB	
CS(=O)(=O)NCc1ccc(/C=N/NC(=O)Nc2ccccc2)o1	217039177	VWYCYABEHZHNQA-OQLLNIDSSA-N	336.373	1.484	50	40	EDGB	
CS(=O)(=O)[C@@H](I)[C@H](O)c1ccccc1	96519149	ITZYFQVWMVYZAF-RKDXNWHRSA-N	326.155	1.526	50	40	EDGB	
Cc1ccc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)c(O)c1	43396	DYEDHNPPKAJZOU-VCHYOVAHSA-N	336.355	1.504	50	40	EDGB	
COc1ccc(OCC(=O)NNC(=O)COc2cccc(C)c2)cc1	5548490	JNETUXOKUJXKBJ-UHFFFAOYSA-N	344.367	1.609	50	40	EDGB	
CCN(CC)C(=S)SCC(=O)NNC(=O)c1ccccc1	5987947	TUWKKAOXBDIODF-UHFFFAOYSA-N	325.459	1.808	50	40	EDGB	
CCOC(=O)c1ccc(C[C@@H]2S/C(=C(\C#N)C(C)=O)NC2=O)cc1	100545986	BVUZYCCNQGLQCW-BXWAGETQSA-N	344.392	1.962	50	40	EDGB	
O=C(NN1C(=O)[C@@H](Cl)[C@@H]1c1cccc(O)c1)c1ccccc1O	1633524	WOBGAHDETZNABX-KBPBESRZSA-N	332.743	1.934	50	40	EDGB	
CCc1cc(C(=O)NNC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cs1	2749597	LXNODHIEMFXRQV-PSJXJDHFSA-N	334.397	1.594	50	40	EDGB	
C[C@@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)c1ccccc1F)CS2	32967462	RBEHDHPYHVQZQA-IAQYHMDHSA-N	337.376	1.041	50	40	EDGB	
O=S1(F)=NP(N2CC2)(N2CC2)=NP(N2CC2)(N2CC2)=N1	104211241	GYIUYLBSLIXOEI-UHFFFAOYSA-N	339.277	1.422	50	40	EDGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cccc(O)c1O	48230161	QKVHZMMJHJHHLW-LZYBPNLTSA-N	331.284	1.535	50	40	EDGB	
C[C@H]1Cc2cc(/C=C(\C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)ccc2O1	5399317	KUJLYSLZWSSDIY-WNCSMHHZSA-N	346.408	1.220	50	40	EDGB	
COc1ccc(/C=N\NC(=O)c2cc(O)c(O)c(O)c2)c(OC)c1	33321337	ULHBQYPLKWMMGQ-IUXPMGMMSA-N	332.312	1.585	50	40	EDGB	
N#CCC(=O)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O	5567085	WFCVFJNFGFUCEK-WLRTZDKTSA-N	327.094	1.427	50	40	EDGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc([N+](=O)[O-])o1	59463274	WJUJCOBYBKLHJW-OMCISZLKSA-N	332.272	1.479	50	40	EDGB	
O=C(O)COc1ccccc1/C=N/NC(=O)c1ccc2[nH]cnc2c1	1252719	NOTCWCJBDALGTL-DNTJNYDQSA-N	338.323	1.790	50	40	EDGB	
Cc1nn(C)c(F)c1/C=N/NC(=O)c1nc(-c2ccccc2)no1	252490408	KSUUWFLIGSEWLN-CAOOACKPSA-N	328.307	1.682	50	40	EDGB	
CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N\c1ccc(N(C)C)cc1	100106953	ILAVYGWISWLOII-CYVLTUHYSA-N	326.356	1.026	50	40	EDGB	
COC(=O)CSC1=C(C#N)[C@H](c2ccc(O)c(OC)c2)CC(=O)N1	9015494	CUNHUYZMDJJYRP-JTQLQIEISA-N	348.380	1.646	50	40	EDGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)NCc2ccncc2)cc1	59459498	ROBRKJHMFJKOAM-FYJGNVAPSA-N	338.367	1.413	50	40	EDGB	
CNS(=O)(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)OC)o2)cc1	25887008	WWJPRHBAZNCQJA-FMIVXFBMSA-N	346.364	1.935	50	40	EDGB	
Cc1occc1C(=O)NNC(=O)[C@H]1CCCN(c2ccccn2)C1	44979844	YADNWPRXKQQGQI-ZDUSSCGKSA-N	328.372	1.661	50	40	EDGB	
CC(C)(Br)C(=O)NNC(=O)[C@]1(C)C[C@H]1Br	2333980	CCWXUTKBLLCIEB-MLUIRONXSA-N	342.031	1.481	50	40	EDGB	
COc1ccccc1NCC(=O)N/N=C/c1ccccc1C(=O)O	3577391	JAYVQFDYTFGJPL-VXLYETTFSA-N	327.340	1.956	50	40	EDGB	
COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)Cc2ccccc2)c1C	16595074	WEQUPMVZLZZXKX-UHFFFAOYSA-N	329.356	1.422	50	40	EDGB	
Cc1cc(C)n(CC(=O)NNC(=O)CCC(=O)c2cccs2)n1	6509356	HMAJYPFFUZAFSB-UHFFFAOYSA-N	334.401	1.372	50	40	EDGB	
Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(C)c(C(=O)O)c2)cc1	28940414	LZKKIGIYKIRQBX-UHFFFAOYSA-N	348.380	1.625	50	40	EDGB	
COc1cc([C@@H]2C(C#N)=C(O)NC(=O)[C@@H]2[n+]2ccccc2)ccc1O	4551274	DHMDSAYZFPTYPT-HZPDHXFCSA-O	338.343	1.436	50	40	EDGB	
CCc1ccc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1	5634048	KMBYJMPBOJMNJP-MRXNPFEDSA-N	326.352	1.850	50	40	EDGB	
CNC(=O)/C(C#N)=C\c1ccc(OCC(=O)OC(C)C)c(OC)c1	408600763	FYKSOTFVXONZLA-QPEQYQDCSA-N	332.356	1.679	50	40	EDGB	
CC1=C2CC[C@@H](C)CC23[C@H]2C(=O)OC(=O)[C@H]2C1[C@H]1C(=O)OC(=O)[C@@H]13	95749415	RCLQIVSRMJYTOM-BBINONACSA-N	330.336	1.384	50	40	EDGB	
Cc1ccccc1OCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1	5512894	RIPWEIFHDJUNQN-INIZCTEOSA-N	342.351	1.361	50	40	EDGB	
Cc1ccc(/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)cc1	5745191	LDZCRHOCUUVPQM-GZTJUZNOSA-N	331.397	1.424	50	40	EDGB	
O=C(NCc1cccnc1-n1ccnc1)NNC(=O)c1cccs1	12544595	VTXXERPAOVSBQF-UHFFFAOYSA-N	342.384	1.473	50	40	EDGB	
C[C@H](Oc1ccc(/C=C(\C#N)C(=O)N2CCOCC2)cc1)C(=O)O	32189280	QBCLBGCVVBUQBJ-LQELWAHVSA-N	330.340	1.304	50	40	EDGB	
O=C1Nc2cccc(Br)c2/C1=N/NC(=O)[C@@H]1CCCO1	43973868	QLEUYGFLGXMHCX-VIFPVBQESA-N	338.161	1.401	50	40	EDGB	
COc1ccccc1/C=C/C=N/NC(=O)C(=O)NCc1ccco1	17472267	CPPOLBIYHGAITP-XLWYYFMFSA-N	327.340	1.720	50	40	EDGB	
CCCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(O)c(OC)c1	6647802	ZRVGASGNGXZSFS-CAOOACKPSA-N	327.768	1.421	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccc2oc(=O)ccc2c1)c1ccccc1	41105662	AJGRDARHFOBANA-UHFFFAOYSA-N	344.348	1.416	50	40	EDGB	
C[C@]12O[C@@H]([C@H](Br)[C@@H]1Br)[C@H]1C(=O)OC(=O)[C@H]12	100442690	LIWROZKJGNEHRM-VSEHJCKHSA-N	339.967	1.000	50	40	EDGB	
CC(=O)N[C@H](C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C)C(C)C	6983755	KHAKWWUACHRAQK-CJNGLKHVSA-N	349.431	1.379	50	40	EDGB	
O=C(CN1CCc2ccc([N+](=O)[O-])cc21)NNC(=O)c1ccco1	96013967	DTRLEIRBWDNEDT-UHFFFAOYSA-N	330.300	1.012	50	40	EDGB	
COc1ccc(/C=N\NC(=O)[C@@H]2COc3ccccc3O2)cc1O	31885667	QUWGRTJBMWADOI-RSFAQHHSSA-N	328.324	1.691	50	40	EDGB	
NC(=O)N[C@H](CC(=O)NNC(=O)c1ccccc1)c1ccccc1	12937807	WCCGRJREBBBXAA-CQSZACIVSA-N	326.356	1.247	50	40	EDGB	
Nn1cnnc1N/N=C/c1ccc(N(CCCl)CCCl)cc1	18101383	GXPNPUSLKOYRBG-RQZCQDPDSA-N	342.234	1.722	50	40	EDGB	
O=C(NNC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23)c1ccccc1Cl	7939461	XGDFTTURTGCYSB-PQTVICFOSA-N	334.759	1.299	50	40	EDGB	
O=C(COC(=O)/C=C/c1ccc(F)cc1)NNC(=O)c1ccccc1	3291054	WADIRHLMGRLHHE-DHZHZOJOSA-N	342.326	1.843	50	40	EDGB	
CC(=C/c1ccc(C(C)C)cc1)/C=N/NC(=O)Cn1nnnc1N	13109136	PBBAGHKMIHSPJP-VQLDENSZSA-N	327.392	1.584	50	40	EDGB	
COc1cc(/C=N\NC(=O)CNc2ccc3c(c2)OCO3)ccc1O	83313497	INHDGSRGIVZQPB-UWVJOHFNSA-N	343.339	1.692	50	40	EDGB	
COC(=O)c1cnn(C)c1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2	253406107	UESDXYYQAMIGDV-GFCCVEGCSA-N	328.328	1.021	50	40	EDGB	
N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)OCC(=O)N1CCCCC1	82077160	VNEXMSYMFFHHKN-ZSOIEALJSA-N	342.351	1.878	50	40	EDGB	
N#CCc1cccc(C(=O)NNC(=O)c2cc(Br)c[nH]2)c1	44956314	OGKIYFRGHAGYNE-UHFFFAOYSA-N	347.172	1.918	50	40	EDGB	
CCN(CC)[C@@H]1S[C@@H]2CS(=O)(=O)[C@@H](Br)[C@@H]2S1	28615234	VMYACRIMMOHSLT-FNCVBFRFSA-N	346.337	1.978	50	40	EDGB	
NC(=O)CCn1cc(/C=N/NC(=O)c2ccccc2N)c2ccccc21	409373752	ZYRMXXBKJFOYFZ-SSDVNMTOSA-N	349.394	1.863	50	40	EDGB	
C=C(C)C(=O)OCCC[Si](OC(C)=O)(OC(C)=O)OC(C)=O	195772409	MLOKHANBEXWBKS-UHFFFAOYSA-N	332.381	1.124	50	40	EDGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1O)[C@H]1COc2ccccc2O1	13597106	FTHRCKNDVXGPHI-XPGOGFAUSA-N	343.295	1.591	50	40	EDGB	
COc1cccc(OC)c1/C=N/NC(=O)C(=O)Nc1ccc(F)cc1	6583681	GHPPTUUHXIGLPG-VXLYETTFSA-N	345.330	1.932	50	40	EDGB	
CN(C)c1ccc(C(=O)NNC(=O)c2ccccc2C(=O)O)cc1	552445	KLVMMDHPHLHNDR-UHFFFAOYSA-N	327.340	1.526	50	40	EDGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)N/N=C/c1ccc(O)cc1O)OC2=O	1448367	LTLOMSSHDSIDNZ-JKNYZCNUSA-N	332.356	1.670	50	40	EDGB	
COc1ccc(CCNC(=O)/C(C#N)=C/c2cnn(C)c2)cc1OC	14177476	JSCYIIDIUVIVLL-OVCLIPMQSA-N	340.383	1.703	50	40	EDGB	
C/C(CC(=O)NCc1ccccc1)=N\NC(=O)C(=O)N1CCCCC1	101157378	QHRSZVJJQUWNNJ-XSFVSMFZSA-N	344.415	1.198	50	40	EDGB	
O=C1NC[C@H](c2ccccc2)[C@H]1C(=O)N/N=C\c1ccc(O)cc1O	16102520	BUMQKMRXGCGGOR-ICZWTFDHSA-N	339.351	1.078	50	40	EDGB	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccc(=O)[nH]n1	9314636	JGKZZSPCTYYPOB-UHFFFAOYSA-N	330.388	1.137	50	40	EDGB	
COc1ccccc1CC(=O)NNC(=O)c1c(O)cc(F)cc1F	66050703	RXGANKMMVSLECA-UHFFFAOYSA-N	336.294	1.683	50	40	EDGB	
O=C(NCCc1ccccc1)C(=O)N/N=C/c1ccc(O)c(Cl)c1	409156385	FMNOEOCEPAPEBO-RGVLZGJSSA-N	345.786	1.855	50	40	EDGB	
COc1cccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)NC(C)=C2C#N)c1	9109785	ZWJUAMCIUQOKDN-CQSZACIVSA-N	339.273	1.653	50	40	EDGB	
CCOC(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1[N+](=O)[O-]	21772373	HPNKXDIZGGGIBZ-UHFFFAOYSA-N	343.292	1.012	50	40	EDGB	
COC(=O)c1cccc(C(=O)NNC(=O)c2cc(Cl)cn2C)c1	48339762	BQZFIUGQJJWYGX-UHFFFAOYSA-N	335.747	1.540	50	40	EDGB	
O=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)COC2	64485002	XIDPCWUKJGHICK-UHFFFAOYSA-N	326.308	1.520	50	40	EDGB	
O=C(COc1ccccc1F)NNS(=O)(=O)c1cccc(F)c1	7517493	KZLRRRBOYNCSTO-UHFFFAOYSA-N	342.323	1.353	50	40	EDGB	
COc1cc(C2C(C#N)=C(N)SC(N)=C2C#N)cc([N+](=O)[O-])c1O	19597227	CAVYDDBHWKGAGN-UHFFFAOYSA-N	345.340	1.527	50	40	EDGB	biogenic,in-vitro
O=C(CC(=O)N/N=C/c1ccccc1Cl)NCc1cccnc1	5338230	SOIFJFZYUDTWNG-RGVLZGJSSA-N	330.775	1.892	50	40	EDGB	
CCCOc1ccc(C(=O)NNC(=O)c2ccncc2)cc1OC	7738133	OLFMTLISXKSSMY-UHFFFAOYSA-N	329.356	1.954	50	40	EDGB	
CCC(=O)NNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O	9741380	BKXRHTJXQISYJH-UHFFFAOYSA-N	342.277	1.768	50	40	EDGB	
C#CCN1C(=O)/C(=N/NC(=O)[C@@H](O)c2ccccc2)c2ccccc21	18212613	CJQGXQRFSSFLKE-BJMRFWQKSA-N	333.347	1.220	50	40	EDGB	
NC(=O)NNC(=O)NCc1ccc(CN2CCc3ccccc32)cc1	46122129	CRHRZFNLJWPHPS-UHFFFAOYSA-N	339.399	1.632	50	40	EDGB	
Cn1ccnc1SCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	64384227	XDVHSUXHPAYXKQ-UHFFFAOYSA-N	348.472	1.876	50	40	EDGB	
Cc1cc(CC(=O)NNC(=O)c2ccc3[nH]c(C)c(C)c3c2)[nH]n1	8746537	OYSMSBHOHSSLQA-UHFFFAOYSA-N	325.372	1.820	50	40	EDGB	
O=C(S[C@H]1CS(=O)(=O)C[C@H]1Cl)c1ccc([N+](=O)[O-])cc1	36719760	BTXOPYKZBLTCHE-ZJUUUORDSA-N	335.790	1.873	50	40	EDGB	
OCC[N+]12CO[C@@H]3CCC[C@@H](C[C@H]1CI)[C@@H]32	5382682	OMTYTCOKKOZNSI-ZAOAHOKWSA-N	338.209	1.528	50	40	EDGB	
C=CCNC(=O)C(=O)N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1	58914344	JLELLTHCMCUAAC-ZDLGFXPLSA-N	342.311	1.607	50	40	EDGB	
Cc1cc(C(=O)NNC(=O)c2ccc(NC(=O)CC#N)cc2)c(C)o1	6787905	WOLMJZRLXKGZED-UHFFFAOYSA-N	340.339	1.823	50	40	EDGB	
O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1ccc(O)cc1O	4815358	VJUIVCDJMQFFIX-UFWORHAWSA-N	331.303	1.117	50	40	EDGB	
COC(=O)COc1cccc(/C=N/NC(=O)Cc2ccccc2)c1	59401636	GFBRMSHBLCBADE-XDHOZWIPSA-N	326.352	1.931	50	40	EDGB	
NC(=O)C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1	3266019	OXWPJJPFADHPPA-GIJQJNRQSA-N	339.380	1.536	50	40	EDGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1cccc([N+](=O)[O-])c1	409145994	REPYDKFCDLUAAD-QGMBQPNBSA-N	342.311	1.886	50	40	EDGB	
CN(C)c1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)N1CCOCC1	409000822	NDRNKQOLBPYUEE-UKTHLTGXSA-N	330.344	1.427	50	40	EDGB	
O=C(Cn1cc(C(F)(F)F)ccc1=O)N/N=C/c1ccccc1O	3187643	PNXKJBJYBFVWEF-FBCYGCLPSA-N	339.273	1.723	50	40	EDGB	
O=C(CCC(=O)N/N=C1\C[C@H]2CC=C[C@H]12)N/N=C1\C[C@H]2CC=C[C@@H]12	5896506	FPNBGHWYIAPUGB-IDUZMGQDSA-N	326.400	1.903	50	40	EDGB	
NC(=O)COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1	15145911	AAFGMNPTKWYDIF-DJKKODMXSA-N	331.759	1.968	50	40	EDGB	
COc1cccc(C(=O)N/N=c2/oc3ccccc3cc2C(N)=O)c1	176118	JNHKJLRDFOPFSZ-DYTRJAOYSA-N	337.335	1.786	50	40	EDGB	
CCCn1c(O)c(C(=O)NNC(=O)CC(C)C)c(=O)c2ccccc21	2442169	OKJFPRFEAHLZCN-UHFFFAOYSA-N	345.399	1.924	50	40	EDGB	
CCOC(=O)COc1cc(/C=N/NC(=O)c2ccco2)ccc1OC	6954874	VKVKQUFXLPTKHU-VCHYOVAHSA-N	346.339	1.994	50	40	EDGB	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2c(C)nn(C)c2C)c1	32878831	DLPGOJGFPBUQCW-UHFFFAOYSA-N	330.388	1.494	50	40	EDGB	
CCn1c(=O)n(CCC(=O)NNC(=O)CC(C)C)c2ccccc21	32845676	DBJNKAOOZHURGN-UHFFFAOYSA-N	332.404	1.407	50	40	EDGB	
COc1ccc(CC(=O)Nc2ccc(C(=O)NN)cc2)cc1OC	545723	ABOLROVUCNWQSJ-UHFFFAOYSA-N	329.356	1.489	50	40	EDGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc2c(c1)OCO2	4720933	BRPLPBZTZAEOJP-CAOOACKPSA-N	343.295	1.853	50	40	EDGB	
CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCC(N)=O	409372644	OIDUXSVEGXUKCT-NTEUORMPSA-N	343.383	1.479	50	40	EDGB	
COCC(=O)N/N=C1\C(=O)N(C2CSC2)c2ccc(C(C)C)cc21	223729333	FNZFRRQKPPDXHY-MNDPQUGUSA-N	347.440	1.739	50	40	EDGB	
COc1ccc(/C(C)=N/NC(=O)CC2(C)OCCO2)cc1[N+](=O)[O-]	4474612	POVKVKIOSCJFJZ-MHWRWJLKSA-N	337.332	1.597	50	40	EDGB	
CC1(C)C(C#N)=C(SCC(=O)Nc2nccs2)NC(=O)[C@H]1C#N	4601768	GNMXRXRPBMCOOC-MRVPVSSYSA-N	347.425	1.846	50	40	EDGB	
Cc1scc(C(=O)NNC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)c1C	372618	AJXALPZZKVFHDX-RHYQMDGZSA-N	338.385	1.004	50	40	EDGB	
Cn1c([S@](C)=O)cnc1COC(=O)N(CCCl)CCCl	4613734	XFVHQUWGEYDWPZ-HXUWFJFHSA-N	342.248	1.574	50	40	EDGB	
COc1ccc2[nH]c(=O)c([C@@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)cc2c1	6300202	UALVRUBQNNDITL-OAHLLOKOSA-N	349.350	1.786	50	40	EDGB	
Cc1cc(C)n2nc(SCC(=O)N/N=C/c3ccco3)nc2n1	360872	FJQALZNQZDVBEA-VIZOYTHASA-N	330.373	1.577	50	40	EDGB	
O=C(NNC(=O)c1cccnc1N1CCCCC1)c1ccncc1	44966032	YLQONVOEWAZYKS-UHFFFAOYSA-N	325.372	1.542	50	40	EDGB	
O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cccs1	13622975	YVHHMVYUISJGQF-CYBMUJFWSA-N	343.408	1.558	50	40	EDGB	
CC(=O)N[C@H](C(=O)NNc1c(F)c(F)c(F)c(F)c1F)C(C)C	8981353	FOWBJDQTJAUNDK-NSHDSACASA-N	339.264	1.986	50	40	EDGB	
COc1ccc(CC(=O)N/N=C\c2ccc(N3CCOCC3)o2)cc1	409015241	AYMVSHBGHWPDLJ-UYRXBGFRSA-N	343.383	1.818	50	40	EDGB	
CC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(Cl)cc2)s1	191559	CDYXKNQCIZRWML-VIZOYTHASA-N	337.792	1.843	50	40	EDGB	
CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N/N=C/c1ccccc1F	3082355	XYSKRFNIFZDAEO-MLHZQLSASA-N	343.358	1.729	50	40	EDGB	
Cc1ccc(-n2ncc3c(=O)n(NC(=O)[C@@H](C)Cl)cnc32)cc1C	10251947	AYVAQMYWTGAIKK-LLVKDONJSA-N	345.790	1.896	50	40	EDGB	
COc1ccccc1NCC(=O)N/N=C\c1ccc(C(=O)O)cc1	30802611	QCCNVVWBJABWBL-GRSHGNNSSA-N	327.340	1.956	50	40	EDGB	
CCOC(=O)[C@@H](CCSC)NC(=O)OCCNCCCl	6403305	YCKSWVMVHFVFHR-SNVBAGLBSA-N	326.846	1.226	50	40	EDGB	
COC(=O)c1cc(/C=C/C(=O)NNC(=O)Cc2ccccc2)oc1C	24714050	HBKAKEYHYYFTCA-CMDGGOBGSA-N	342.351	1.778	50	40	EDGB	
C/C(=N/NC(=O)c1nn(C)c(C)c1Br)c1ccnn1C	6526642	GVJPUDKULYTXST-CHHVJCJISA-N	339.197	1.379	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccccc1)c1cncn1-c1ccccc1	7131542	IKXMHIIUNBDCLH-UHFFFAOYSA-N	342.380	1.496	50	40	EDGB	
COc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(C)cc2)cc1	2133823	FPKUUVIVQIXEJZ-UHFFFAOYSA-N	343.408	1.953	50	40	EDGB	
Cc1nn(C)c(C)c1CC(=O)NNC(=O)c1cc(Cl)ccc1O	10887480	KBAXKERIYYHEKA-UHFFFAOYSA-N	336.779	1.400	50	40	EDGB	
CN(C)C(=O)CCC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1	4700389	HCAUZIWCGDAZMD-UHFFFAOYSA-N	331.294	1.335	50	40	EDGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C/N2CCC(C(N)=O)CC2)cc1	32029833	SZQWGCRBTQLMCX-RVDMUPIBSA-N	333.413	1.331	50	40	EDGB	
NC(=O)c1cc2ccccc2o/c1=N\NC(=O)c1nc(C2CC2)no1	72332503	GCBRSNGMNXKTID-HKWRFOASSA-N	339.311	1.038	50	40	EDGB	
CS(=O)(=O)N(CC(=O)N/N=C\c1ccccc1)C1CCCCC1	107714558	IPVLTLKISYGGMR-ATVHPVEESA-N	337.445	1.731	50	40	EDGB	
COc1cccc(/C=N/NC(N)=O)c1OS(=O)(=O)c1ccccc1	2077382	XMCNMWFSDABHNE-LICLKQGHSA-N	349.368	1.465	50	40	EDGB	
O=C(/C=C/c1cccs1)NNC(=O)[C@H]1COc2ccccc2O1	12917617	AIPKXZCNSQWUCS-HSBSLETESA-N	330.365	1.749	50	40	EDGB	
O=C(Nc1ccc2ncccc2c1)N[C@H]1CS(=O)(=O)C[C@H]1Cl	575424029	JNIOKWGMMNYEJS-YPMHNXCESA-N	339.804	1.761	50	40	EDGB	
CCOc1ccc(C(=O)NNC(=O)c2cccnc2)cc1OCC	496789	OYLPBGWHOZUKHA-UHFFFAOYSA-N	329.356	1.954	50	40	EDGB	
CS(=O)(=O)c1cccc(C(=O)NNC(=O)/C=C/c2ccco2)c1	27150202	DSPLTHACBQHBPF-BQYQJAHWSA-N	334.353	1.158	50	40	EDGB	
COc1cc(/C=N/NC(=O)c2ccccc2N)cc([N+](=O)[O-])c1O	35586047	SRGCJLWXEQSFBC-CAOOACKPSA-N	330.300	1.655	50	40	EDGB	
O=C(NNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc(F)cc1	198483259	HUMZMCMZRMVBAN-ZDUSSCGKSA-N	341.342	1.640	50	40	EDGB	
Cc1ccccc1N(CC(=O)N/N=C/c1ccccn1)S(C)(=O)=O	15226212	GYMGAIOMYSVGAY-WOJGMQOQSA-N	346.412	1.306	50	40	EDGB	
Cc1nnc(SCC(=O)NNC(=O)c2ccc(F)cc2)s1	6861509	RCDYAWXXTZHEFV-UHFFFAOYSA-N	326.378	1.539	50	40	EDGB	
COC(=O)[C@H]1[C@@H]2[C@H](Br)C(=O)N(C(=O)OC(C)(C)C)[C@H]12	37263103	IDBRBQSVIDEUTJ-KVPKETBZSA-N	334.166	1.315	50	40	EDGB	
Cc1cc(C)n2nc(C(=O)N/N=C/c3cc(Cl)ccc3O)nc2n1	131563	FGMXSEYCYRGPND-REZTVBANSA-N	344.762	1.864	50	40	EDGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C1/NC(=O)CS1	15057154	GGYFWIBOIPAHMG-UHFFFAOYSA-N	334.184	1.622	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)CSc2nnc(C(C)C)n2C)cc1	410907	QOSKLKVDLKXUHF-UHFFFAOYSA-N	347.444	1.800	50	40	EDGB	
Cc1cccc(C(=O)NNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	4313567	MKOPTMGPABOSLX-UHFFFAOYSA-N	335.341	1.527	50	40	EDGB	
Cc1ccc(S(=O)(=O)NNC(=O)Cn2nc(C)cc2C)c(C)c1	7386825	IIHQZXXZWDGZQT-UHFFFAOYSA-N	336.417	1.126	50	40	EDGB	
COc1cc(C(=O)NNC(=O)c2cc(C)oc2C)cc(OC)c1O	408768238	VIOUKPATXPPBEQ-UHFFFAOYSA-N	334.328	1.694	50	40	EDGB	
CC(C)OCCCNC(=O)C(=O)N/N=C/c1cccc(Cl)c1	59483797	BQHYNBMVOPPDLI-VCHYOVAHSA-N	325.796	1.721	50	40	EDGB	
Cc1ccc(-c2n[nH]c(-c3ccccc3NC(=O)NN)nc2=O)cc1	32815335	KBZBDDLPNYVCDV-UHFFFAOYSA-N	336.355	1.803	50	40	EDGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1C(=O)O	59444402	APJHDCAZMFTRNO-VCHYOVAHSA-N	341.323	1.482	50	40	EDGB	
Cc1c(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cccc1[N+](=O)[O-]	17083876	URWFCVFXYQKDNT-UHFFFAOYSA-N	344.283	1.886	50	40	EDGB	
CNC(=O)/C(C#N)=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1	408795026	JWPJVEYXCGIDKC-IDJPSDCMSA-N	343.383	1.014	50	40	EDGB	
CCn1nc(C(=O)N/N=C/c2c(C)nn(C)c2F)cc1C(F)(F)F	252489944	KFKGVWPULMFUHP-NGYBGAFCSA-N	346.288	1.867	50	40	EDGB	
Cc1cnc(C(=O)NNC(=O)c2ccc(Br)cc2)cn1	3612152	YDXNVEKPWOPIOB-UHFFFAOYSA-N	335.161	1.622	50	40	EDGB	
O=C(NNC(=O)c1cccs1)NC1CCN(C(=O)C2CC2)CC1	32803004	FNLFGBQQDOWWRW-UHFFFAOYSA-N	336.417	1.093	50	40	EDGB	
Cc1cccc(C)c1OCC(=O)NCC(=O)N/N=C/c1ccncc1	3771064	USTGQPFQHRSGSF-UFFVCSGVSA-N	340.383	1.344	50	40	EDGB	
CCCc1c(C(=O)N/N=C/[C@H]2CC=CCC2)nnn1-c1nonc1N	5478034	LHCYJTPASGWQTI-VJCPFXPRSA-N	344.379	1.257	50	40	EDGB	
COc1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)cc1	3296008	HTJNJGZNPQMSOW-UHFFFAOYSA-N	328.324	1.313	50	40	EDGB	
COc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1OC	354514	DTXXARIJCWPNGA-OXNWSPOFSA-N	342.351	1.994	50	40	EDGB	
Cn1cc(Br)cc1C(=O)NNC(=O)c1cc(Cl)c[nH]1	8939426	PXSNVKFNYNDGBJ-UHFFFAOYSA-N	345.584	1.844	50	40	EDGB	
COc1cc2c(cc1/C=C(\C#N)C(=O)NC[C@@H]1CCCO1)OCO2	409201000	MYJSDAKODQCLQZ-YFTXEMMHSA-N	330.340	1.626	50	40	EDGB	
COC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1	562583	VILBSIICNBFYND-VCHYOVAHSA-N	328.324	1.708	50	40	EDGB	
CCOC(=O)N1CCC2(CC1)C(C#N)=C(S)N(C)C(=O)[C@H]2C#N	483905	UFTQOBTYTIVDBR-SNVBAGLBSA-N	334.401	1.502	50	40	EDGB	
O=C(NNC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O)c1cccc(Cl)c1	101674372	YNIJWSOZPHETTQ-VDUILEQBSA-N	336.775	1.848	50	40	EDGB	
CCOC(=O)/C=C/C(=O)NNC(=O)COc1ccc2ccccc2c1	1794373	BKEDJXLHYDYJTP-MDZDMXLPSA-N	342.351	1.485	50	40	EDGB	
O=C(NNC(=O)[C@H]1CCCC[C@@H]1C(=O)O)c1ccccc1[N+](=O)[O-]	6336165	PIYFLKYHFBOGIR-UWVGGRQHSA-N	335.316	1.247	50	40	EDGB	
Cc1ccccc1-c1nnn(CC(=O)N/N=C/c2ccccc2O)n1	408991483	XPMIHDXEJBWGTN-VCHYOVAHSA-N	336.355	1.504	50	40	EDGB	
COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccccc2F)cc1	223157276	ISTUJNZJTMGECQ-GRSHGNNSSA-N	343.314	1.701	50	40	EDGB	
O=C(CCl)N(c1ccc(Cl)cc1)[C@@H]1CS(=O)(=O)C[C@@H]1O	40177674	XQYGMWNCONMLBV-MNOVXSKESA-N	338.212	1.070	50	40	EDGB	
CCOc1oc(C(=O)NNC(=O)Cc2c(F)cccc2F)nc1C	585089337	FWQYTVUMZKQBBQ-UHFFFAOYSA-N	339.298	1.664	50	40	EDGB	
O=C(CC(=O)N/N=C/c1ccc2c(c1)OCO2)NCc1ccccc1	3057604	OJIGRHIYSKTYNO-RGVLZGJSSA-N	339.351	1.572	50	40	EDGB	
COc1cccc(/C=N/NC(=O)C(=O)NCc2ccccc2)c1OC	3057689	KSTDBYPYZGZYBO-UDWIEESQSA-N	341.367	1.470	50	40	EDGB	
COc1cccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c1OC	3475491	WJKOSZQUUNOFFE-MWJIIQFGSA-N	342.351	1.994	50	40	EDGB	
O=C(NN[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1cccnc1	100572069	QXQUTEXANZUFOA-ZDUSSCGKSA-N	344.758	1.302	50	40	EDGB	
O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1cccc(O)c1	7813159	NURGQHRJQOZIKH-VXLYETTFSA-N	331.759	1.812	50	40	EDGB	
COc1ccc2c(c1OC)C(=O)O[C@H]2NNC(=O)c1cccnc1	485460	ITIXHUBBGAAYKD-OAHLLOKOSA-N	329.312	1.202	50	40	EDGB	biogenic
Cc1nn(C)cc1/C=N/NC(=O)[C@H](C)Cn1nc(C)c([N+](=O)[O-])c1C	2784439	DJDLFQCAJSZCNK-JPEBENEDSA-N	347.379	1.236	50	40	EDGB	
CNC(=S)NNC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2C	17071886	HXDORYLZAWYTLH-UHFFFAOYSA-N	344.444	1.462	50	40	EDGB	
Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccccc1	9365569	BFOHVVHSCUIJTR-UHFFFAOYSA-N	346.412	1.363	50	40	EDGB	
COc1cc(Cl)c(/C=N\NC(=O)CN2CCOCC2)cc1OC	19873082	WKEDIALPWYAFBJ-MFOYZWKCSA-N	341.795	1.140	50	40	EDGB	
O=C(Cn1cc(Cl)c([N+](=O)[O-])n1)N/N=C/c1ccc(F)s1	252507952	WYAOACOIINXJFV-QLKAYGNNSA-N	331.716	1.796	50	40	EDGB	
O=C(O)[C@@H]1C[C@H](Br)[C@@H](Br)C[C@H]1C(=O)O	5377108	XXADRWGJEKUZPR-ZXXMMSQZSA-N	329.972	1.709	50	40	EDGB	
COc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OCC#N	2799492	AQLMKKGDJSQLPX-RUDMXATFSA-N	336.145	1.752	50	40	EDGB	
COc1ccc(/C=N/NC(=O)CN(C)C(=O)c2ccccc2)cc1	3085849	PSLSBWTUEYAWGT-XDHOZWIPSA-N	325.368	1.918	50	40	EDGB	
N#C/C(=C\c1c[nH]c2ccccc12)C(=O)N[C@H]1CCS(=O)(=O)C1	4318553	OADZEGODWPLJRE-HJTPGIPUSA-N	329.381	1.378	50	40	EDGB	
C#CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3ccccc32)C2=C1CCCC2=O	4517098	QVMHWDBLLIYMFZ-HXUWFJFHSA-N	345.358	1.493	50	40	EDGB	
COc1cc(Cl)ccc1C(=O)NNC(=O)c1cc(C(C)=O)c[nH]1	12569036	ZHPDFIYVXXZJCD-UHFFFAOYSA-N	335.747	1.954	50	40	EDGB	
CCc1[nH]nc2c1[C@H](c1cccc(OCC(N)=O)c1)C(C#N)=C(N)O2	5130113	QWECHMUYKKXMTO-CQSZACIVSA-N	339.355	1.054	50	40	EDGB	
COc1ccc(C)c(N(C(=O)CCl)[C@@H]2CCS(=O)(=O)C2)c1	40177632	RKZSJCVIEUOHRL-LLVKDONJSA-N	331.821	1.763	50	40	EDGB	
C=CCN1C(=O)/C(=C/NNC(=O)c2ccccc2)C(O)=NC1=S	1303313	KBSXHTYLEGGQCD-PKNBQFBNSA-N	330.369	1.075	50	40	EDGB	
C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1c(O)cc(C)oc1=O	102237124	MIGHIORLGJULKZ-CXUHLZMHSA-N	331.284	1.716	50	40	EDGB	
O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1c(Cl)cccc1Cl	3085698	HNMQOYKGIZHBFP-ZBPACCJBSA-N	344.198	1.739	50	40	EDGB	
CC(C)=C[C@@H]1[C@H](C(=O)NNC(=O)C[C@@H]2CCS(=O)(=O)C2)C1(C)C	61492694	IBHIDLWOQKFEEE-OUCADQQQSA-N	342.461	1.197	50	40	EDGB	
CCOc1ncccc1C(=O)NNC(=O)CNc1ccc(OC)cc1	12543021	SWVFKKYEHQEEEA-UHFFFAOYSA-N	344.371	1.362	50	40	EDGB	
CCNC(=O)/C(C#N)=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1	5471969	VCNFFUQVQADFFO-XFXZXTDPSA-N	345.380	1.637	50	40	EDGB	
Cc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1N1CCCC1	408849123	VJQXLLZBIDPEOF-UYRXBGFRSA-N	330.432	1.378	50	40	EDGB	
COC(=O)c1c(NC(=O)CCl)sc2c1CCN(C(C)=O)C2	74941640	LQWXYSVYVDFJBA-UHFFFAOYSA-N	330.793	1.617	50	40	EDGB	
COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(C)cc2)cc1	223156890	SGLPQJRHDNQLSW-ODLFYWEKSA-N	339.351	1.870	50	40	EDGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccn2)cc1	16309287	CXXYKEKPBPUPQL-WQRHYEAKSA-N	346.412	1.161	50	40	EDGB	
CCCNC(=O)NNC(=O)COc1ccc2cc(OC)ccc2c1	17068010	XRNXXPIJHZKPKQ-UHFFFAOYSA-N	331.372	1.968	50	40	EDGB	
COc1ccc(C(=O)NNC(=S)NC(=O)c2ccccc2)cc1	4950467	AQKSZPZBPSWIIF-UHFFFAOYSA-N	329.381	1.645	50	40	EDGB	
COc1cc(/C=N/NC(=O)c2ccccc2N)c(O)c([N+](=O)[O-])c1	6951062	QKYLTBHTUNCRIY-CAOOACKPSA-N	330.300	1.655	50	40	EDGB	
Cc1cc2c(c(=O)n1C)[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2	2219378	GILBCMVJEWQIBQ-AWEZNQCLSA-N	338.323	1.820	50	40	EDGB	
CC(C)(C)CC(=O)NNC(=O)c1csc(N2CCOCC2)n1	12803221	ZNOLJJMHETVVRR-UHFFFAOYSA-N	326.422	1.177	50	40	EDGB	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1cc[n+]([O-])cc1	43006708	XBUPMYFXDVNPRO-UHFFFAOYSA-N	329.400	1.688	50	40	EDGB	
N#CC1=C(N)OC2=C([C@H]1c1cccc([N+](=O)[O-])c1)S(=O)(=O)CCC2	606422321	LQFJQMKGAMUHOS-ZDUSSCGKSA-N	347.352	1.823	50	40	EDGB	
Cc1cccc(C(=O)N/N=C2\CS(=O)(=O)N(C)c3ccsc32)c1	1386852	XSFNPQINMXYYAI-FOWTUZBSSA-N	349.437	1.970	50	40	EDGB	
CCOC(=O)/C(C#N)=C\c1ccc(OCC(=O)N2CCOCC2)cc1	4545612	ZCRPSWGHKVSACW-PTNGSMBKSA-N	344.367	1.394	50	40	EDGB	
CCCNC(=O)CCC(=O)NNC(=O)Cn1ccc2ccccc21	4676145	WNZOGQTXQDHQLG-UHFFFAOYSA-N	330.388	1.095	50	40	EDGB	
N#CC1=C(N2CCOCC2)S[C@@H](c2ccc([N+](=O)[O-])cc2)NC1=O	9644525	FTPKUEVHFKKPTH-AWEZNQCLSA-N	346.368	1.524	50	40	EDGB	
COC(=O)CSCC[Si]12O[C@H](C)CN(C[C@@H](C)O1)C[C@@H](C)O2	195802121	CYRVWXPKWRVJML-JHJVBQTASA-N	349.525	1.376	50	40	EDGB	
Cn1cc(C(=O)NNC(=O)COc2ccccc2C#N)c2ccccc21	14891328	QRGPUPBWKLVPHC-UHFFFAOYSA-N	348.362	1.890	50	40	EDGB	
O=S(=O)(/N=C1/NC[C@H](CBr)S1)c1ccccc1	6352515	BPKUWJCBIKYTML-QMMMGPOBSA-N	335.248	1.831	50	40	EDGB	
CCOc1cnc(C(=O)NNC(=O)[C@@H](Br)C(C)C)o1	4070636	MNUFFMKSXHKEPW-QMMMGPOBSA-N	334.170	1.254	50	40	EDGB	
O=C(CCn1nnc2ccccc21)N/N=C/c1ccc([N+](=O)[O-])cc1	252548	OCSWWQSXZFQHOM-GZTJUZNOSA-N	338.327	1.880	50	40	EDGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc(OC[C@H]2CCCO2)cc1	104837010	BBGQARJTAHHNLS-WMJYUBJYSA-N	344.367	1.727	50	40	EDGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc2c1OCO2	4102799	LPGXZJZZSOFQSD-ZDUSSCGKSA-N	326.312	1.674	50	40	EDGB	biogenic,in-vitro
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)cc1OC	18323344	PMSXGCWUZLOXDB-OAHLLOKOSA-N	339.351	1.919	50	40	EDGB	
COc1ccc(N(C(=O)CCl)[C@@H]2CCS(=O)(=O)C2)c(OC)c1	40177568	MUNWXPBMJIRWGZ-SNVBAGLBSA-N	347.820	1.463	50	40	EDGB	
CCc1sc(C(=O)NNC(=O)CN2C[C@@H](C)O[C@H](C)C2)cc1C	48287840	RPRFKICROCXOQV-VXGBXAGGSA-N	339.461	1.489	50	40	EDGB	
Cc1cccc(C(=O)[C@@H](I)S(C)(=O)=O)c1	96517932	VQNSGUVJANUAFJ-JTQLQIEISA-N	338.166	1.983	50	40	EDGB	
CCOC(=O)COc1ccc(Br)cc1/C=N/NC(C)=O	559192	DSDSGXJBAAAGGE-VIZOYTHASA-N	343.177	1.861	50	40	EDGB	
COc1cc(OC)cc(C(=O)NNC(=O)c2cc([N+](=O)[O-])c[nH]2)c1	12796933	WVXQCYFVRIKETF-UHFFFAOYSA-N	334.288	1.015	50	40	EDGB	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)Nc1cccc(C)c12	17143938	PRJJPNAVUAPGPR-KRWDZBQOSA-N	325.324	1.356	50	40	EDGB	
Cc1ccc(CN(CC(=O)NN)S(=O)(=O)c2ccccc2)cc1	223466611	KPECQQNWMNUSJP-UHFFFAOYSA-N	333.413	1.176	50	40	EDGB	
CNc1nnc(SCC(=O)NNC(=O)c2ccc(C)cc2)s1	17979470	QMOQZUQYIIFXNW-UHFFFAOYSA-N	337.430	1.442	50	40	EDGB	
Cc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1	19953883	FEOJHEKSFNFGOT-LDADJPATSA-N	345.424	1.911	50	40	EDGB	
COc1cc(/C=N\NC(=O)CNc2ccccc2OC)ccc1O	30802598	WPNCFRZADMKIFE-GRSHGNNSSA-N	329.356	1.972	50	40	EDGB	
CC(C)C(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1	32674034	NRJCCZXEJPYDEE-AWEZNQCLSA-N	329.400	1.332	50	40	EDGB	
N#CCC(=O)N/N=C/c1cc(Br)c(O)c([N+](=O)[O-])c1	567379	ZWGOFODMABXZNS-WLRTZDKTSA-N	327.094	1.427	50	40	EDGB	
COC(=O)C1=C2S[C@H](C)C(=O)N2C(N)=C(C#N)[C@H]1c1ccco1	533673	FCNRYZREPKWHOQ-XCBNKYQSSA-N	331.353	1.419	50	40	EDGB	
CCOC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1N1CCN(C)CC1	409008276	UZJRXOWTBQEBDN-GXDHUFHOSA-N	344.371	1.817	50	40	EDGB	
C#CCn1cc(/C=N/NC(=O)CC2(C)OCCO2)c2ccccc21	573584	KNWZXQHAJPQPRG-XDHOZWIPSA-N	325.368	1.878	50	40	EDGB	
O=C(NN1C(=O)[C@H](Cl)[C@H]1c1ccccc1O)c1ccccc1O	1633496	HSFPEPKEBLETNN-ZIAGYGMSSA-N	332.743	1.934	50	40	EDGB	
CN(NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ccccc1	45007416	DFFWMHXGQATADS-UHFFFAOYSA-N	343.408	1.641	50	40	EDGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1cnccn1	7698992	YQVWNWCTIYRWQU-UHFFFAOYSA-N	339.380	1.983	50	40	EDGB	
O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1F	198483217	ISMKBUXTHWXWPN-GFCCVEGCSA-N	341.342	1.640	50	40	EDGB	
COc1cc(/C=N/NC(C)=O)ccc1OS(=O)(=O)c1ccccc1	5726129	AADREYGMIOUYLI-GZTJUZNOSA-N	348.380	1.933	50	40	EDGB	
CCOc1ncccc1C(=O)NNC(=O)COc1ccc(C)c(C)c1	14142079	NJJUMSXXFFNYDL-UHFFFAOYSA-N	343.383	1.937	50	40	EDGB	
NC(=O)Nc1cc(NC(N)=O)cc(N(CCCl)CCCl)c1	1766361	FKEKQWMSUGGZTG-UHFFFAOYSA-N	334.207	1.952	50	40	EDGB	
C/C(=N\NC(=O)c1sc(N)nc1C)[C@@H]1Cc2ccccc2C(=O)O1	42676555	GMRXICZXORMNAU-KEGHGJGQSA-N	344.396	1.921	50	40	EDGB	
O=C(NNC(=O)[C@@H]1CC1(Cl)Cl)[C@@H]1COc2ccccc2O1	25465189	ONBLWEFJZFOYFJ-XVKPBYJWSA-N	331.155	1.168	50	40	EDGB	
COCC1=C(C(=O)OC)[C@@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O1	4189080	WWZQENGQVOCLCU-ZDUSSCGKSA-N	345.311	1.476	50	40	EDGB	
CC(=O)N[C@H](CC(=O)OCC(=O)/C(C#N)=C(\C)N)c1ccccc1	6567093	QTJAZOYZUQQKLQ-ATGUSINASA-N	329.356	1.122	50	40	EDGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2F)cc1	59515402	NYUOALQPNBUALW-RGVLZGJSSA-N	329.331	1.601	50	40	EDGB	
O=C(N/N=C1\C(=O)N(CN2CCCC2)c2ccccc21)c1ccco1	100915796	MWCPTQUDBFAYGM-MNDPQUGUSA-N	338.367	1.814	50	40	EDGB	
CCCCn1c(N)c(N(CC(C)C)C(=O)CCl)c(=O)[nH]c1=O	3345055	LCQDRVGMMLAKKY-UHFFFAOYSA-N	330.816	1.147	50	40	EDGB	
CCOC(=O)c1ccc(NC(=O)C/C(C)=N/NC(=O)CC#N)cc1	4523524	XOVIIFCMGMLLCV-YBFXNURJSA-N	330.344	1.598	50	40	EDGB	
C[Si](C)(CCCNCCN)O[Si](C)(C)CCCNCCN	195766998	YOKCSBYSSHOWSQ-UHFFFAOYSA-N	334.657	1.290	50	40	EDGB	
COc1ccccc1OCC(=O)N/N=C1/C(=O)N(C)c2ccccc21	96594477	GRLCWFHGTSFDTD-LVZFUZTISA-N	339.351	1.571	50	40	EDGB	
COCCCNC(=O)C(=O)N/N=C/c1ccc(Br)cc1	7782202	UPUWRULGJZUKNI-CXUHLZMHSA-N	342.193	1.052	50	40	EDGB	
O=C(NN[C@H]1CC(=O)N(c2ccccc2)C1=O)c1ccccc1Cl	550865	NEAUFXJUOGPPIH-AWEZNQCLSA-N	343.770	1.907	50	40	EDGB	
CCc1nc2ccccc2n1CC(=O)NNC(=O)c1cccnc1O	12559247	XWLKAMCKAWMVFE-UHFFFAOYSA-N	339.355	1.161	50	40	EDGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccnc2)cc1	39986615	QHPYKDGBDOQRDZ-WQRHYEAKSA-N	346.412	1.161	50	40	EDGB	
O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]	3131029	RFEJAIJGFMRDHP-UHFFFAOYSA-N	330.256	1.578	50	40	EDGB	biogenic
CN1CCN(CC(=O)NN(Cc2ccccc2)c2ccccc2)CC1	20790140	QNTQDUREXIEJQC-UHFFFAOYSA-N	338.455	1.972	50	40	EDGB	biogenic
C=CCSC1=C(C#N)[C@H](c2cccnc2)[C@@H](C(=O)OC)C(=O)N1	14671750	NTPBEJZQBUAQBN-QWHCGFSZSA-N	329.381	1.739	50	40	EDGB	
N#CC1=C(SCC(N)=O)NC(=O)[C@H](C#N)[C@H]1c1ccccc1Cl	4078478	OPTLAPFEYXIVCZ-NOZJJQNGSA-N	346.799	1.647	50	40	EDGB	
C[C@@H]1C[C@H]1C(=O)NCCC(=O)NNc1c(F)c(F)nc(F)c1F	31491309	FFNXQPWPDCBDSB-PHDIDXHHSA-N	334.273	1.243	50	40	EDGB	
N#C/C(=C\c1ccc(OCC(N)=O)cc1)C(=O)NCc1cccnc1	6633435	UHXQJXCCHWVWAY-OVCLIPMQSA-N	336.351	1.169	50	40	EDGB	
COc1ccc(C(=O)NNC(=O)[C@H]2OCCc3ccccc32)cc1	28540806	VBXKOWLQABCHOC-INIZCTEOSA-N	326.352	1.770	50	40	EDGB	
CC(C)C(=O)N/N=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1	408775200	FZNJJDVWHISNEB-LICLKQGHSA-N	349.412	1.864	50	40	EDGB	
CS(=O)(=O)N(CC(=O)NN)c1ccc(Oc2ccccc2)cc1	32115647	VHJAYQIJLNEMRX-UHFFFAOYSA-N	335.385	1.235	50	40	EDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1F)c1ccccc1	19953984	UJUAZHKTWVRVRD-WOJGMQOQSA-N	349.387	1.742	50	40	EDGB	
COc1ccccc1OCC(=O)N/N=C/c1ccccc1C(=O)O	6182639	VWOBDRVSFYZHEG-VCHYOVAHSA-N	328.324	1.923	50	40	EDGB	
O=C(CBr)OC/C=C/COC(=O)CBr	5178353	SIHKVAXULDBIIY-OWOJBTEDSA-N	329.972	1.419	50	40	EDGB	
CC[C@H](C)NC(=O)C/C(C)=N/NC(=O)C(=O)Nc1ccccc1OC	4401824	JZQVUSDIFMHYFU-GTQCHLIPSA-N	348.403	1.431	50	40	EDGB	
CCCCC(=O)NNC(=O)c1c(O)n(CC)c2ccccc2c1=O	5731919	XCOAKGDAFVYXNT-UHFFFAOYSA-N	331.372	1.678	50	40	EDGB	
O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1cccc(Cl)c1	3329765	KVKPEYOGKKZACT-UHFFFAOYSA-N	342.742	1.651	50	40	EDGB	
CCc1sc(C(=O)NNC(=O)CN2CCSCC2)cc1C	71914543	CFTXLQXKJFZKMU-UHFFFAOYSA-N	327.475	1.429	50	40	EDGB	
O=C(CO)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	4525870	FYZHSRAZVLJUNU-RQZCQDPDSA-N	329.312	1.616	50	40	EDGB	
COc1ccc(OC)c(/C=N/NC(=O)Cn2c([N+](=O)[O-])cnc2C)c1	96929436	RJITXEHBOPPAFO-REZTVBANSA-N	347.331	1.267	50	40	EDGB	
O=C(COc1ccc2c(c1)OCO2)NNC(=S)Nc1ccccc1	6644189	KUXIWQUTTUXYAQ-UHFFFAOYSA-N	345.380	1.812	50	40	EDGB	
CC(C)c1nnc(SCC(=O)NNC(=O)C2CCCCC2)n1C	410349	VCJKWDOIDSTCRO-UHFFFAOYSA-N	339.465	1.758	50	40	EDGB	
O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H](O)c1ccccc1	354731	ZVCPKUMKKCDRIQ-IWAJPKQASA-N	343.295	1.507	50	40	EDGB	
CCc1c(C(=O)NNC(=S)NC[C@H]2CCCO2)csc1C	8684219	DLQDZSLVCDWDJQ-SNVBAGLBSA-N	327.475	1.907	50	40	EDGB	
CN(C)[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1ccccc1O	65575740	VFDZGVSVFXDNAS-HNNXBMFYSA-N	327.384	1.326	50	40	EDGB	
O=C(N/N=C/c1ccc(S(=O)(=O)O)o1)c1cccc([N+](=O)[O-])c1	9846720	QCERKRWJMFJPMA-NTUHNPAUSA-N	339.285	1.198	50	40	EDGB	
Cc1ccccc1C(=O)[C@H](I)S(C)(=O)=O	96517927	JNLBFIGQFXSVJT-SNVBAGLBSA-N	338.166	1.983	50	40	EDGB	
C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1ccc(Cl)cc1O	5381888	IVTPUDVDDFRKBF-VIZOYTHASA-N	338.711	1.351	50	40	EDGB	
CCOC(=O)c1cnc(NNC(=O)CCl)nc1C(F)(F)F	2243838	LYRISHJWUBYYMS-UHFFFAOYSA-N	326.662	1.354	50	40	EDGB	
O=C1Nc2ccc(F)cc2/C1=N\NC(=O)c1ccc2c(c1)OCO2	16698672	XTQJTCKRHWAXRI-UHFFFAOYSA-N	327.271	1.641	50	40	EDGB	
CCc1sc(C(=O)NNC(=O)CSc2nncn2C)cc1C	58173485	MWOKKJXDEHPJBS-UHFFFAOYSA-N	339.446	1.301	50	40	EDGB	
O=C(Cc1csc(N2CCOCC2)n1)N/N=C/c1ccc(F)cc1	3242973	IGJSJSQDHSUTAK-VCHYOVAHSA-N	348.403	1.812	50	40	EDGB	
Cc1cc(/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc(C)c1O	27020621	STUIZJGIASDQKG-GUNGLEHYSA-N	334.397	1.219	50	40	EDGB	
O=C(NNC(=O)[C@H]1CCCC[C@H]1C(=O)O)c1ccccc1[N+](=O)[O-]	6336168	PIYFLKYHFBOGIR-VHSXEESVSA-N	335.316	1.247	50	40	EDGB	
CC1(CC(=O)N/N=C/c2ccc(O)c(Br)c2)OCCO1	48446	MZFXNQRPLMSTJZ-OVCLIPMQSA-N	343.177	1.758	50	40	EDGB	
O=C(O)[C@H]1[C@@H](C(=O)O)[C@@H]2C[C@H]1[C@@H](Br)[C@H]2Br	103075817	HECPLCNVJSYLGU-CTJUJGJMSA-N	341.983	1.565	50	40	EDGB	
O=S(=O)(Nc1ccccc1-n1cnnn1)[C@H]1CCCC[C@H]1Cl	65553936	ZWMBCEURGNNNKZ-MFKMUULPSA-N	341.824	1.954	50	40	EDGB	
Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NNC(=O)CC(C)C	10161067	SMIFRZJMNZZNEI-UHFFFAOYSA-N	342.399	1.865	50	40	EDGB	
O=C(CNC(=O)C1CCC1)NNC(=O)CC12CC3CC(CC(C3)C1)C2	58312982	FGOLMDDBVGUDCX-UHFFFAOYSA-N	347.459	1.657	50	40	EDGB	
COC(=O)N/N=C/c1cc(I)cc(C)c1O	13943805	IJMSHGSBFKAEOO-LFYBBSHMSA-N	334.113	1.995	50	40	EDGB	
O=C(CCNC(=O)c1ccccc1)NNC(=O)c1ccc(F)cc1	7653006	AENAUQGFELQTGE-UHFFFAOYSA-N	329.331	1.407	50	40	EDGB	
Cn1c(CC(=O)NNC(=O)[C@H]2C[C@H]2c2ccco2)nc2ccccc21	95956169	LFQTYMPYIONPPB-NEPJUHHUSA-N	338.367	1.660	50	40	EDGB	
COC(=O)COc1ccc(/C=N/NC(=O)CNC2CCCCC2)cc1	409376298	WWMXCUJBSAKLOG-RGVLZGJSSA-N	347.415	1.611	50	40	EDGB	
CC1(C)[C@]2(C(=O)N3CCNCC3)CC[C@@]1(C)C(=O)[C@H]2Br	85385655	MMPGHLULZXDWJQ-WKPIXPDZSA-N	343.265	1.577	50	40	EDGB	
O=C1[C@H]2[C@H]3C[C@H]4[C@H]([C@H](Br)C(=O)[C@@H]24)[C@@H]3[C@@H]1Br	195528819	ASRUXQHQIUKJHH-WVHKXVFPSA-N	334.007	1.793	50	40	EDGB	
CC[N+](CC)=C1S[C@H]2CS(=O)(=O)[C@@H](Br)[C@@H]2S1	5247809	FVJBSQVZXZYAQQ-XLPZGREQSA-N	345.329	1.761	50	40	EDGB	
O=S(=O)(/N=C1/NC[C@@H](CBr)S1)c1ccccc1	6352516	BPKUWJCBIKYTML-MRVPVSSYSA-N	335.248	1.831	50	40	EDGB	
CC(C)CC(=O)NNC(=O)C1CCN(C(=O)c2ccsc2)CC1	32776835	VSPYORZPWBECDJ-UHFFFAOYSA-N	337.445	1.794	50	40	EDGB	
C=CCN1C(=O)[C@@H](CC(=O)O)S/C1=N/NC(=O)c1ccc(C)cc1	2276559	KYSZRKHKAJSUOZ-XCHVRBFASA-N	347.396	1.601	50	40	EDGB	
COc1ccc(/C=N/NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1	538385	PDKYYMQMHAGEKU-LZYBPNLTSA-N	331.332	1.567	50	40	EDGB	
O=C(N[C@@H]1COCO[C@H]1c1ccccc1[N+](=O)[O-])C(Cl)Cl	1437097	RLUIKRNKQVLBIN-SCZZXKLOSA-N	335.143	1.929	50	40	EDGB	
CCOC(=O)Cc1n[nH]c2c1[C@H](c1ccncc1)C(C#N)=C(N)O2	9016025	MEEWFRGIISBUBC-CYBMUJFWSA-N	325.328	1.128	50	40	EDGB	
O=C(NNC(=O)C1CCCC1)c1ccc(=O)n(Cc2ccccc2)c1	16839251	LGCCOBXMUPLCJU-UHFFFAOYSA-N	339.395	1.848	50	40	EDGB	
CSC1=N[C@](NC(=O)c2ccccc2)(C(Cl)Cl)C(=O)N1	101087831	BQABDLYFXSYVFA-GFCCVEGCSA-N	332.212	1.765	50	40	EDGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc2c(c1)OCO2	370179	NVZXMAZVPYQWKR-UHFFFAOYSA-N	343.295	1.327	50	40	EDGB	
CO[C@H](C(=O)N/N=C/c1ccc(N2CCOCC2)o1)c1ccccc1	408994481	HUKDBUFDNBNFMS-AMRJIULGSA-N	343.383	1.954	50	40	EDGB	
Cc1ccccc1[C@H](O)[C@@H](I)S(C)(=O)=O	96519202	XQCSUUNWCNCHRT-UWVGGRQHSA-N	340.182	1.834	50	40	EDGB	
CCS(=O)(=O)[C@H](Br)[C@@H](O)c1cccc([N+](=O)[O-])c1	96519098	QUCRCEJGNVCEKA-UWVGGRQHSA-N	338.179	1.784	50	40	EDGB	
Nc1nc(CC(=O)N/N=C\c2cc3c(cc2[N+](=O)[O-])OCO3)cs1	13424302	POUMEGOGQJDESI-TVPGTPATSA-N	349.328	1.055	50	40	EDGB	
Cc1c(C(=O)NN)nn(-c2cccc(C(F)(F)F)c2)c(=O)c1C#N	563212	KWCZGXWLYXKCLO-UHFFFAOYSA-N	337.261	1.035	50	40	EDGB	
C[C@]12CCC(=O)N1[C@H](C(=O)NNC(=O)c1ccccc1F)CS2	32967466	RBEHDHPYHVQZQA-NHYWBVRUSA-N	337.376	1.041	50	40	EDGB	
CCOc1cc(/C=N/NC(=O)c2cccnc2)cc([N+](=O)[O-])c1O	36011554	AYVOLUSBXPVHIT-CAOOACKPSA-N	330.300	1.858	50	40	EDGB	
O=C(N/N=C\c1sc(=O)[nH]c1-[n+]1ccccc1)c1ccccc1	13144832	CPYOGJHQTOMKEA-UHFFFAOYSA-O	325.373	1.477	50	40	EDGB	
O=C(CSc1ccccn1)NNC(=O)c1ccc([N+](=O)[O-])cc1	5395319	IADVPOFRSKCHOP-UHFFFAOYSA-N	332.341	1.543	50	40	EDGB	
C[C@H](Sc1ncn[nH]1)C(=O)NNC(=O)c1cccc(Cl)c1	9335961	CJAYCYRNIXWNFH-ZETCQYMHSA-N	325.781	1.400	50	40	EDGB	
O=C(NNC1=C(C(=O)C(F)(F)F)CCC1)[C@H](O)c1ccccc1	408563567	ODMRVZYLPVZXKF-GFCCVEGCSA-N	328.290	1.910	50	40	EDGB	
O=C(N/N=C\c1cccnc1)c1cc(-c2ccc3c(c2)OCO3)n[nH]1	33306335	JSDDIFGGASGVBC-OCKHKDLRSA-N	335.323	1.964	50	40	EDGB	
N#CC(C#N)=C(N)[C@]1(C#N)[C@H](c2cccc([N+](=O)[O-])c2)C1(C#N)C#N	6668817	NCZQCUSCNABXGS-CJNGLKHVSA-N	329.279	1.496	50	40	EDGB	
N#CC1=C(N)N=C(N2CCOCC2)[C@]1(C#N)CC(=O)c1ccccc1	66088757	CRNKZPFSJGBGCF-SFHVURJKSA-N	335.367	1.208	50	40	EDGB	
CS(=O)(=O)[C@@H](I)[C@H](O)c1cccc(F)c1	96519197	OOISSMBOKJECPP-RKDXNWHRSA-N	344.145	1.665	50	40	EDGB	
C[C@@H](NC(=O)C(=O)N/N=C/c1ccccc1C(=O)O)c1ccccc1	59444315	KLYXANQHLYIISI-ZGXHQARYSA-N	339.351	1.712	50	40	EDGB	
C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCC(=O)OC	59334788	CSLCBMUEDUGIEV-GDNBJRDFSA-N	328.368	1.962	50	40	EDGB	
O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)c1ccccn1	13563993	IRSPSBYGCABUGP-UHFFFAOYSA-N	345.156	1.930	50	40	EDGB	
NC(=O)COc1cccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409249964	KJUWQYSUUUCJIA-NVMNQCDNSA-N	342.311	1.223	50	40	EDGB	
COc1ccc(CCC(=O)NNC(=O)c2ccccn2)cc1OC	8196212	PSFPPUKCELWGKG-UHFFFAOYSA-N	329.356	1.493	50	40	EDGB	
O=C(Cc1c(F)cccc1Cl)N[C@H]1CS(=O)(=O)C[C@H]1Cl	9577330	BEKFLCCBKDRBQY-KOLCDFICSA-N	340.203	1.542	50	40	EDGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCC1)c1ccccc1F	408773861	JLEUVDDTLZKIIH-UHFFFAOYSA-N	327.381	1.638	50	40	EDGB	
COc1cc2c(cc1/C=C(\C#N)C(=O)NC[C@H]1CCCO1)OCO2	409201004	MYJSDAKODQCLQZ-YQJFHSMKSA-N	330.340	1.626	50	40	EDGB	
O=S1(=O)C[C@@H](Cl)[C@H](NS(=O)(=O)c2ccc(Cl)cc2)C1	134667574	FOCGRSWYSCEMEK-NXEZZACHSA-N	344.241	1.023	50	40	EDGB	
Cn1c(=O)n(C)c2cc(/C=C(/C#N)C(=O)NCc3ccco3)ccc21	13111875	XGOOVWWYYPNKSZ-JYRVWZFOSA-N	336.351	1.693	50	40	EDGB	
Cc1ccc(C(=O)NNS(=O)(=O)c2cc(C(=O)O)ccc2C)cc1	13028948	URHHXFMYJQYWBZ-UHFFFAOYSA-N	348.380	1.625	50	40	EDGB	
CCCn1c(=O)c(C(=O)NNC(=O)CC(C)C)c(O)c2ccccc21	100534766	LAEKBELNAFFJQO-UHFFFAOYSA-N	345.399	1.924	50	40	EDGB	
O=C(NNC(=O)c1cccs1)C1=NN(c2ccccc2)C(=O)CC1	9909049	DEHWHXFCLXRGNO-UHFFFAOYSA-N	342.380	1.692	50	40	EDGB	
CC[C@@H](C)N1C(=O)/C(=C/NNC(=O)c2ccccc2)C(O)=NC1=S	1238816	BSESYXSQMCBDBR-QSARLWQPSA-N	346.412	1.687	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1	28430999	JZZOJYXAQLZRAD-HNNXBMFYSA-N	337.379	1.809	50	40	EDGB	
COc1cccc(C(=O)NNC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)O)c1	4651852	DUMBLRUBVNUKHN-GJZGRUSLSA-N	346.383	1.903	50	40	EDGB	
O=S1(=O)C[C@H](NS(=O)(=O)c2ccc(Cl)cc2)[C@@H](Cl)C1	134667555	FOCGRSWYSCEMEK-UWVGGRQHSA-N	344.241	1.023	50	40	EDGB	
NNC(=O)[C@@H]1CN(C(=O)CCc2ccccc2)c2ccccc2O1	225329206	WDVNDHCNSAFEJF-INIZCTEOSA-N	325.368	1.403	50	40	EDGB	
CCS(=O)(=O)N1CCC[C@H](C(=O)N/N=C/c2ccc(F)s2)C1	252484122	FPDATMIEAPXNTM-CYANDVJASA-N	347.437	1.399	50	40	EDGB	
CCOC(=O)c1nc2c([nH]1)OC(N)=C(C#N)[C@@H]2c1ccccc1F	5686416	NKYRPBSGOXBNBA-NSHDSACASA-N	328.303	1.944	50	40	EDGB	
CCOC(=O)c1nc2c([nH]1)OC(N)=C(C#N)[C@H]2c1cccc(F)c1	5686420	GXTONUJAQDWYAC-LLVKDONJSA-N	328.303	1.944	50	40	EDGB	
O=C(NN1C(=O)[C@H](Cl)[C@@H]1c1ccc(O)cc1)c1ccccc1O	1633519	UOGKILIVBHEGSL-KGLIPLIRSA-N	332.743	1.934	50	40	EDGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)NNC(=O)c1cccc([N+](=O)[O-])c1	2782751	APBMXZZDJFEKQE-UHFFFAOYSA-N	344.283	1.507	50	40	EDGB	
Cc1ccc(N2C(=O)C[C@H](NNC(=O)c3ccccc3N)C2=O)cc1	2890244	DFNXJNDAJMKPET-HNNXBMFYSA-N	338.367	1.144	50	40	EDGB	
Cn1nc(C(=O)NNC(=O)[C@@H]2CC=CCC2)c2ccccc2c1=O	17191977	VHWQPWUHRBMDSJ-LLVKDONJSA-N	326.356	1.051	50	40	EDGB	
Cn1c(CC(=O)NNC(=O)c2ccc(F)cc2F)nc2ccccc21	6510136	RVSAFIZRTYWTRK-UHFFFAOYSA-N	344.321	1.855	50	40	EDGB	
COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(O)cc2)cc1	223160707	SETMHJQSGBRORF-ZDLGFXPLSA-N	341.323	1.268	50	40	EDGB	
C[C@@H](OC[C@H]1CCCO1)C(=O)NNC(=O)c1cccc(Cl)n1	585114254	VGEKCIXJVKQRSN-NXEZZACHSA-N	327.768	1.080	50	40	EDGB	
COc1ccc(C(=O)N/N=C/c2ccc3c(c2)n(C)c(=O)n3C)cc1	204954	NGOICHBYVHZRLY-YBFXNURJSA-N	338.367	1.650	50	40	EDGB	
COCCCNC(=O)C(=O)N/N=C/c1ccc(Cl)cc1Cl	5511582	SWKLSJVHLBHJEN-CAOOACKPSA-N	332.187	1.596	50	40	EDGB	
COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccco2)cc1OC	5514326	NWNBJODOCHABNH-YBFXNURJSA-N	345.355	1.106	50	40	EDGB	
CCc1c(C)nc(N)[n+]2c1SC[C@@H]2CI	88128	NSMQLXJZSIAWNS-ZETCQYMHSA-O	336.222	1.904	50	40	EDGB	
CCNC(=S)NNC(=O)c1ccc(OCc2c(C)noc2C)cc1	6447408	RHIAVRCHEHLOIT-UHFFFAOYSA-N	348.428	1.999	50	40	EDGB	
C[C@H](O)C(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1	59566553	QWRBQBJBYKPAFI-MDBUFAAASA-N	347.415	1.345	50	40	EDGB	
COc1ccc2[nH]cc(CCNC(=O)CSS(=O)(=O)O)c2c1	2023887	DUXDNTYQYSVZHR-UHFFFAOYSA-N	344.414	1.371	50	40	EDGB	biogenic
COc1ccc(/C=N/NC(=O)c2ccc(CN)cc2)c(OC)c1OC	3339278	WAGZINWLFNZMDO-RGVLZGJSSA-N	343.383	1.935	50	40	EDGB	
Cn1c(CC(=O)NNC(=O)[C@@H]2C[C@H]2c2ccco2)nc2ccccc21	95956168	LFQTYMPYIONPPB-VXGBXAGGSA-N	338.367	1.660	50	40	EDGB	
Cc1ccc(/C=C/C(=O)NNC(=O)C(=O)NCc2ccco2)c(C)c1	9951925	AAMHOMVGRCPPKA-BQYQJAHWSA-N	341.367	1.373	50	40	EDGB	
COc1ccc(C(=O)N/N=c2/oc3ccccc3cc2C(N)=O)cc1	194673	SUYZCPJCIOTLHK-DYTRJAOYSA-N	337.335	1.786	50	40	EDGB	
COC(=O)/C(=N\NC(=O)c1ccccc1O)[C@H](C#N)c1ccccc1	5722391	IAKGZCIZYVUMEZ-XSOQZJFOSA-N	337.335	1.958	50	40	EDGB	
CCCCC(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12	17196693	ZYHRTXDMEHIQPR-UHFFFAOYSA-N	330.388	1.929	50	40	EDGB	
COc1ccc(Cc2cc3c(cc2OCC(=O)NN)OCO3)cc1	1581562	JKYPOUZGQFPTJM-UHFFFAOYSA-N	330.340	1.383	50	40	EDGB	
O=C(NNC(=O)c1ccco1)NC1CCN(Cc2ccccc2)CC1	32779416	BTUPXFHGMISDLG-UHFFFAOYSA-N	342.399	1.888	50	40	EDGB	
C/C(CC(=O)NC1CCCCC1)=N\NC(=O)Cc1csc(N)n1	101157988	HWTHIJWRSYNRHN-VXLYETTFSA-N	337.449	1.599	50	40	EDGB	
Cc1cccc(OCC(=O)NNC(=O)COc2ccc(C#N)cc2)c1	3266305	LRYDARPARCAICT-UHFFFAOYSA-N	339.351	1.472	50	40	EDGB	
CCc1nnsc1C(=O)NNC(=O)c1cc(Cl)ccc1OC	27402940	KTCCMOLBKKZXSY-UHFFFAOYSA-N	340.792	1.837	50	40	EDGB	
C[C@@H](Cl)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	3885282	IBHDFRKEEOEOHR-SNVBAGLBSA-N	332.809	1.273	50	40	EDGB	
COc1ccc(/C=N/NC(=O)c2nn(C)cc2Br)cc1	132231	WGHDIAQDFSMBCX-VIZOYTHASA-N	337.177	1.955	50	40	EDGB	
CCOc1cc(/C=N/NC(=O)CCc2c(O)n[nH]c2C)ccc1O	229446	PBYLJQBSUJIEJK-RQZCQDPDSA-N	332.360	1.611	50	40	EDGB	
C=CC(=O)OC[C@H](O)CNCCC[Si](OCC)(OCC)OCC	170025017	PVLBXNICXUCXTA-CQSZACIVSA-N	349.500	1.105	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccccc1-c1ccccc1)[C@@H]1CCCO1	71818106	LSDSSFJNICLLPH-HNNXBMFYSA-N	346.408	1.842	50	40	EDGB	
C#CCOc1c(/C=C(\C#N)C(N)=O)cc(Br)cc1OC	408814295	SLLSWNKROKYHBA-BJMVGYQFSA-N	335.157	1.862	50	40	EDGB	
Cn1cc([C@H]2C[C@@H]2C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cn1	70012101	FKNCYDOLDVXLHT-WLWXPDNKSA-N	342.443	1.887	50	40	EDGB	
CC1=NNC(=O)[C@H]1CCC(=O)N/N=C(/C)c1ccc([N+](=O)[O-])cc1	100507422	DZQSYCMVIZRKDX-LWLPBDFMSA-N	331.332	1.337	50	40	EDGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)N(C)c1ccccc12	89389	OPWIBGZWZQFLJU-SFHVURJKSA-N	339.351	1.462	50	40	EDGB	
C[C@@H](Cl)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	2650167	LBTLDDGGEPEYCT-SNVBAGLBSA-N	332.809	1.273	50	40	EDGB	
CCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccncc2)s1	107935252	UXPKNFMEQKDFAI-LICLKQGHSA-N	346.416	1.755	50	40	EDGB	
COc1cc(/C=N/NC(=O)c2ccccc2O)c(O)c([N+](=O)[O-])c1	59513187	LQSGLOBUBYXWTK-LZYBPNLTSA-N	331.284	1.779	50	40	EDGB	
Cc1cc2c(c(=O)o1)[C@]1(C(=O)Nc3c(C)cccc31)C(C#N)=C(N)O2	2204832	XXIQKBCPHJETOK-GOSISDBHSA-N	335.319	1.581	50	40	EDGB	
CN(C)c1ccc([C@H]2C(C#N)=C(O)NC(=O)[C@H]2[n+]2ccccc2)cc1	4663299	HHIWBSAJJLGZPZ-IRXDYDNUSA-O	335.387	1.788	50	40	EDGB	
CCn1c(NNC(=O)[C@H](NC(C)=O)C(C)C)nc2ccccc2c1=O	9857042	XDNQAMMRMPACHA-CQSZACIVSA-N	345.403	1.020	50	40	EDGB	
NNC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1	27905626	YFNKRMDSRKNQIY-UHFFFAOYSA-N	326.194	1.291	50	40	EDGB	
CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)NN)c2ccccc2)CC1	498050519	KCUOFCOIQIDAEQ-CQSZACIVSA-N	334.420	1.270	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1	319085	PXBAESHRYOVRTF-UHFFFAOYSA-N	339.304	1.357	50	40	EDGB	
O=C(O)CCc1ccc(S(=O)(=O)NNC(=O)c2ccccc2)cc1	13079323	YUISQEBJKLIGGB-UHFFFAOYSA-N	348.380	1.327	50	40	EDGB	
Cc1nn(C)c(F)c1/C=N/NC(=O)c1cc(-c2cnn(C)c2C)on1	252485545	GYJSFEVENBIPJF-UBKPWBPPSA-N	345.338	1.328	50	40	EDGB	
CCN1C(=O)/C(=N\NC(=O)Cn2nc(C)cc2C)c2ccccc21	8513332	UACKEMABAUTLKO-MNDPQUGUSA-N	325.372	1.387	50	40	EDGB	
C[C@H](NS(=O)(=O)c1ccc(CCC(=O)NN)cc1)c1ccccc1	8221811	MJLIBBKXZMGHHZ-ZDUSSCGKSA-N	347.440	1.649	50	40	EDGB	
O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1	101310974	ZKYCMLQDQOHVIC-ONVIOCPGSA-N	344.845	1.527	50	40	EDGB	
CCOc1cccc(/C=N\NC(=O)[C@@H](N)Cc2ccc(O)cc2)c1O	104218907	WCIVWAFEQRECEZ-PFHZTYADSA-N	343.383	1.517	50	40	EDGB	
C/C(N)=C(\C#N)C(=O)COc1ncnc2c1cnn2-c1ccccc1	105802571	WDWREUWMDLKLRE-QBFSEMIESA-N	334.339	1.520	50	40	EDGB	
CC(C)NC(=O)COc1ccc(/C=N/NC(=O)c2ccncc2)cc1	4520117	AAQMWZLUUCRKKO-RGVLZGJSSA-N	340.383	1.749	50	40	EDGB	
O=C(Cn1cc(Br)cn1)NNC(=O)c1ccc(F)cc1	4662570	SIEZHTVSWYQGFN-UHFFFAOYSA-N	341.140	1.246	50	40	EDGB	
Cc1noc(C)c1S(=O)(=O)NNC(=O)Cc1ccccc1Cl	71280015	ODHOUWOQGDUFRL-UHFFFAOYSA-N	343.792	1.497	50	40	EDGB	
CCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(O)cc2)s1	191549	JWTWXMPKKRURGK-CXUHLZMHSA-N	347.400	1.675	50	40	EDGB	
O=C(CNC(=O)c1ccccc1F)N/N=C1\C(=O)Nc2ccccc21	5731650	YHPRJPPERIBJCP-UHFFFAOYSA-N	340.314	1.028	50	40	EDGB	
COc1ccc([C@H](C#N)NNC(=O)c2ccccc2O)cc1OC	1633726	HVUNESCUNADGQY-ZDUSSCGKSA-N	327.340	1.909	50	40	EDGB	
C/C(CC(=O)NC1CCCC1)=N\NC(=O)C(=O)Nc1ccc(C)cc1	4713760	BFYPGGKTQVOIGE-FYJGNVAPSA-N	344.415	1.875	50	40	EDGB	
CCCOc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1	27018747	BOMRJZASOWVPJZ-IPJDOKCGSA-N	348.424	1.686	50	40	EDGB	
NNC(=O)CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1	409206939	NMPUPMQKKVCYST-UHFFFAOYSA-N	325.434	1.220	50	40	EDGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1)C(=O)NC1CC1	17471562	NPIFNCIAGSWWPT-UDWIEESQSA-N	337.379	1.994	50	40	EDGB	
COc1ccccc1C(=O)N/N=C(\C)c1ccc(-n2cnnn2)cc1	25761155	RFYAGPZCOYUNNH-XDHOZWIPSA-N	336.355	1.825	50	40	EDGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(COC)c32)ccc1O	81935	FVLBBJMEWCMBJH-AWEZNQCLSA-N	342.355	1.879	50	40	EDGB	
O=C(N/N=C1/CCS(=O)(=O)c2ccc(F)cc21)c1cccnc1	33040446	WPWKGHLWXWRGJU-AQTBWJFISA-N	333.344	1.532	50	40	EDGB	
C[C@@]1(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)CC1(Cl)Cl	100557782	ZBSQHCMLPOZMBH-ONXMKFCISA-N	347.198	1.241	50	40	EDGB	
CC(C)COC[C@@H](O)CCC(=O)NNC(=S)Nc1ccccc1	8692072	PHRWNIOWYVATHS-AWEZNQCLSA-N	339.461	1.818	50	40	EDGB	
CCn1cc(S(=O)(=O)NNC(=O)c2ccc3ccccc3n2)cn1	66574876	QLJOTTYLZBRXIW-UHFFFAOYSA-N	345.384	1.075	50	40	EDGB	
CS(=O)(=O)[C@H](I)C(=O)c1ccc(N)cc1	96517911	XCKGSSVDXPIIRF-VIFPVBQESA-N	339.154	1.257	50	40	EDGB	
COC(=O)COc1c(Cl)cc(/C=N\NC(=O)CC#N)cc1Cl	30814005	MQVWSOZBGURMIA-FMQZQXMHSA-N	344.154	1.909	50	40	EDGB	
NNC(=O)[C@H]1Sc2nnc(C(F)(F)F)n2N[C@H]1c1ccccc1	27028460	RLUQTPCZCYMWIP-YUMQZZPRSA-N	344.322	1.046	50	40	EDGB	
CCCCCC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C	13006530	KXCDDZORZXIPAV-UHFFFAOYSA-N	340.449	1.629	50	40	EDGB	
COc1ccc(/C=N/NC(=O)C(=O)NC2CCCCC2)cc1OC	59386586	BHKNQSXRUMUOBG-WOJGMQOQSA-N	333.388	1.603	50	40	EDGB	
Cc1cccc(C)c1OCC(=O)NNC(=O)[C@@H]1Cc2ccccc2O1	12765297	ROSSOLILTWVUQU-INIZCTEOSA-N	340.379	1.833	50	40	EDGB	
O=C(NNC(=O)c1cc2c(s1)CCCCC2)c1ccc[n+]([O-])c1	16498626	ISRDZPNAJQWKPD-UHFFFAOYSA-N	331.397	1.725	50	40	EDGB	
COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(C)=O	41011208	YDVPXMQIOBHTKT-NTEUORMPSA-N	330.340	1.386	50	40	EDGB	
CO[C@H]1CCN(C(=O)/C(C#N)=C/C(C)C)CC[C@@H]1CC(=O)N(C)C	585289160	FPPWAJYUVTXVDW-AMKQFNALSA-N	335.448	1.824	50	40	EDGB	
COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccccc2O)c1	2025827	PVNVCYLDZXXSJK-VCHYOVAHSA-N	343.339	1.498	50	40	EDGB	
COc1cc(/C=C(\C#N)C(=O)NCCCN2CCOCC2)ccc1O	21548847	ULEOZWRAXSVPMH-RVDMUPIBSA-N	345.399	1.146	50	40	EDGB	
O=C(NCc1ccccc1)C(=O)N/N=C/c1ccccc1C(=O)O	59444301	DJWFERWMXHKYQR-YBFXNURJSA-N	325.324	1.151	50	40	EDGB	
O=C(N/N=C/c1cccnc1)c1c(O)n2c3c(cccc3c1=O)CCC2	1303287	PUZLIBNRNYDJTL-SRZZPIQSSA-N	348.362	1.812	50	40	EDGB	
C#CCOc1ccc(OC)cc1/C=N/NC(=O)[C@@H](O)c1ccccc1	409353111	GVDXUBAIGRUQHZ-ACRNLXFHSA-N	338.363	1.891	50	40	EDGB	
CCCc1[nH]nc2c1C1(CCN(C(=O)OCC)CC1)C(C#N)=C(N)O2	4453471	TYNMSKFMNPTEJP-UHFFFAOYSA-N	345.403	1.939	50	40	EDGB	
O=C(NNC(=O)c1cc(Br)c[nH]1)c1cc(Cl)c[nH]1	24123993	WDNQBIUILVCDPB-UHFFFAOYSA-N	331.557	1.834	50	40	EDGB	
CCC(=O)NNC(=O)[C@H](C)N1CCN(Cc2ccccc2C)CC1	69707572	DUYQFQJBWIPTOU-HNNXBMFYSA-N	332.448	1.059	50	40	EDGB	
C[C@H]1Cc2cc(/C=C(\C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)ccc2O1	5399305	KUJLYSLZWSSDIY-MWMICKBXSA-N	346.408	1.220	50	40	EDGB	
Cc1csc(CC(=O)NNC(=O)CN2CCc3ccccc32)n1	9750338	VIPZFJDLOWICRX-UHFFFAOYSA-N	330.413	1.204	50	40	EDGB	
O=C(O)C[C@H](NCc1ccccc1)C(=O)NNC(=O)c1ccccc1	72334063	FHTHZXAWLBFCOH-HNNXBMFYSA-N	341.367	1.081	50	40	EDGB	
CC(=O)OC[C@H](Br)[C@@H](Br)COC(C)=O	1687089	BTDBVZGNTYYMQZ-YUMQZZPRSA-N	331.988	1.640	50	40	EDGB	
CC1=C(C#N)C(=O)NC(=O)/C1=N/Nc1ccc(Cl)c(C(=O)O)c1	101167758	JOAWRDCOFOOKFI-YBFXNURJSA-N	332.703	1.303	50	40	EDGB	
N#CCCCN1C(=O)/C(=N/NC(=O)c2ccncc2)c2ccccc21	6231327	XPOLFGCIOWTEFS-LTGZKZEYSA-N	333.351	1.866	50	40	EDGB	
NNC(=O)COc1ccc(I)c2cccnc12	225391360	HKXRMHPTUCRJKB-UHFFFAOYSA-N	343.124	1.208	50	40	EDGB	
CC1S(=O)(=O)O[Si](C)(C)CC[Si](C)(C)OS1(=O)=O	195752624	XUKINWJPXCUPCN-UHFFFAOYSA-N	332.548	1.449	50	40	EDGB	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)Nc1cccc(C)c12	17143940	PRJJPNAVUAPGPR-QGZVFWFLSA-N	325.324	1.356	50	40	EDGB	
COc1cc(/C=N/NC(=O)C(=O)NC2CCCC2)cc(OC)c1OC	5512417	RXNFWPOALLIUOB-VCHYOVAHSA-N	349.387	1.221	50	40	EDGB	
NNC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	244398	AHZWQXDBNQITOQ-MDWZMJQESA-N	325.324	1.176	50	40	EDGB	
O=C(NN[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O)c1cccnc1	100129059	SQYHUXRKASFAAF-ZDUSSCGKSA-N	344.758	1.302	50	40	EDGB	
COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccccc1O	59433970	QTLFHAOTHHYHFK-VCHYOVAHSA-N	327.340	1.798	50	40	EDGB	
CC(=O)N1CCC(C(=O)NNc2ncccn2)(c2ccccc2)CC1	44919646	DOCZIAGXHOSDFD-UHFFFAOYSA-N	339.399	1.500	50	40	EDGB	
O=C(COC(=O)c1ccc2ccccc2n1)NNC(=O)c1ccccc1	3300435	FRXNTOFSDDEPHK-UHFFFAOYSA-N	349.346	1.853	50	40	EDGB	
COC(=O)/C(CC(=O)c1ccc(OC)cc1)=N/NC(=O)C(C)(C)C	4413844	YMMKFVYINBQJGS-QGOAFFKASA-N	334.372	1.959	50	40	EDGB	
CC/C(CC(=O)CCC(=O)Nc1c(C)cccc1C)=N\NC(=O)NN	16953450	DNWSTEPLOQMOLJ-FYJGNVAPSA-N	347.419	1.920	50	40	EDGB	
CCCCC/C(C[C@H]1NC(=S)NC1=O)=N\NC(=O)c1ccncc1	4783195	XCTKVSMFNAGWLC-HMHKGCENSA-N	347.444	1.511	50	40	EDGB	
COc1cc(C(=O)NNC(=O)c2cccs2)cc(OC)c1OC	498393	YPAXTGXLJXOQSE-UHFFFAOYSA-N	336.369	1.849	50	40	EDGB	
CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N/Nc1cc(C)ccc1C	101154538	MPNBVKCFTIWWMK-HMMYKYKNSA-N	326.356	1.273	50	40	EDGB	
NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1	4278845	ANLGFZQJSJWQCD-AWEZNQCLSA-N	333.413	1.230	50	40	EDGB	
Cc1cc(C(F)(F)F)nn1CC(=O)NNC(=S)NCC(C)C	13858334	AYIGQELYMYXZRR-UHFFFAOYSA-N	337.371	1.362	50	40	EDGB	
COc1cccc([C@H]2C(C#N)=C(N)Oc3nc[nH]c(=O)c32)c1OC	15107693	LYQAABNKBCRUJU-NSHDSACASA-N	326.312	1.005	50	40	EDGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)NCCCOC)cc1	408811811	KTZAVALEFLMCIE-RVDMUPIBSA-N	346.383	1.688	50	40	EDGB	
O=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C/c1ccc[nH]1	238803	PNWRCEBBEBYLRN-CAOOACKPSA-N	329.751	1.472	50	40	EDGB	
O=C(NNC(=O)C1CC1)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1	23109467	ZFPNFBFWVYJJPD-UHFFFAOYSA-N	345.786	1.721	50	40	EDGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)NC2CCCC2)cc1OC	5512826	PIXZUBXIGMHCJS-XDHOZWIPSA-N	345.399	1.769	50	40	EDGB	
CN(C)N(C(=O)Cc1ccc2c(c1)CCC2)[C@@H]1CCS(=O)(=O)C1	68525967	YYUXKNYPLRSSGW-MRXNPFEDSA-N	336.457	1.210	50	40	EDGB	
CN(N)C(=O)C1=NO[C@@H](Nc2ncc(C(F)(F)F)cc2Cl)C1	64220225	ZYEQEGMVSFACSD-MRVPVSSYSA-N	337.689	1.600	50	40	EDGB	
CCn1ncc(/C=N/NC(=O)[C@H](C)n2nc([N+](=O)[O-])cc2C)c1F	252500833	TWECUFYIPFPYNQ-JBZZFUPASA-N	337.315	1.167	50	40	EDGB	
N#C/C(=C\c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	141141	NBUYBMYZAHWHQN-JLHYYAGUSA-N	327.365	1.880	50	40	EDGB	
Cc1cccc(C(=O)OCC(=O)NNC(=O)c2cccs2)c1O	4922699	POSMCAORMQJXEA-UHFFFAOYSA-N	334.353	1.380	50	40	EDGB	
COc1ccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1	3062138	PGHTYBWWZDBRRV-DEDYPNTBSA-N	325.368	1.504	50	40	EDGB	
C/C(=N\NC(=O)Cc1cccn1C)c1ccc(N2CCOCC2)cc1	5516940	RWOLGRAHCKNXCE-HMMYKYKNSA-N	340.427	1.945	50	40	EDGB	
COc1ccc(N(C(=O)CCl)[C@@H]2CCS(=O)(=O)C2)cc1OC	40177616	JPFDUTZGNNWWQC-LLVKDONJSA-N	347.820	1.463	50	40	EDGB	
CS(=O)(=O)[C@H](I)[C@H](O)c1ccccc1	96519148	ITZYFQVWMVYZAF-BDAKNGLRSA-N	326.155	1.526	50	40	EDGB	
CCNS(=O)(=O)C[C@@]1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2Br	5591715	CHHKYNYNFQLRRG-SPFNVWMYSA-N	338.267	1.695	50	40	EDGB	
Cc1cccc(C(=O)NNC(=O)CSc2nnc(C3CC3)n2C)c1	410341	KREPPYLOKBPECL-UHFFFAOYSA-N	345.428	1.554	50	40	EDGB	
COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1	499670	BSGWBMPNUFFOED-AWEZNQCLSA-N	338.319	1.953	50	40	EDGB	
CC(C)(C)OC(=O)NNc1ccc(C(=O)ON2C(=O)CCC2=O)cc1	59104596	ZTMBXTMPSQKDCW-UHFFFAOYSA-N	349.343	1.759	50	40	EDGB	
COc1cccc(/C=N/NC(=O)Cc2cn3ccsc3n2)c1O	12563974	CRYHLRWXDVSXMK-LZYBPNLTSA-N	330.369	1.803	50	40	EDGB	
O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C\c1ccc(O)cc1	36077393	GWEYUDPLSZJBSW-OCKHKDLRSA-N	331.759	1.926	50	40	EDGB	
COc1ccc(NC(=O)CCC(=O)N/N=C/c2cn(C)nc2C)cc1	2361822	JIRUROCSNCALBY-VCHYOVAHSA-N	343.387	1.606	50	40	EDGB	
CCOc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Cl)c1O	19851804	YHNBWRNWJRHZBJ-RQZCQDPDSA-N	341.795	1.227	50	40	EDGB	
CC(=O)Nc1ccc(/C=N\NC(=O)CNC(=O)c2ccccc2)cc1	31729843	MRUBXMPWMFKRKP-JAIQZWGSSA-N	338.367	1.525	50	40	EDGB	
Cc1c(/C=N/NC(=O)c2cccnc2)c(=O)n(-c2ccccc2)n1C	8299516	QOKLKKXBUBZROA-UDWIEESQSA-N	335.367	1.643	50	40	EDGB	
Cc1nc(CC(=O)N/N=C/c2ccc(OCC(=O)O)cc2)cs1	3412969	VTQSWWPMCKRKMP-FRKPEAEDSA-N	333.369	1.608	50	40	EDGB	
Cn1nc(C(=O)NNC(=O)[C@H]2CC=CCC2)c2ccccc2c1=O	17191974	VHWQPWUHRBMDSJ-NSHDSACASA-N	326.356	1.051	50	40	EDGB	
C[C@H](Sc1nnnn1C)C(=O)C(C#N)=C1Nc2ccccc2N1	13021837	GMIPTQGXKBUOGX-QMMMGPOBSA-N	327.373	1.533	50	40	EDGB	
CC(C)c1c(C(=O)N/N=C/c2ccccc2)nnn1-c1nonc1N	530830	HGHHORAARJYRHK-CAOOACKPSA-N	340.347	1.120	50	40	EDGB	
O=C(N/N=C/c1ccccn1)C(=O)Nc1cccc(Br)c1	59516106	BWSVKDCKLZTHGN-RQZCQDPDSA-N	347.172	1.933	50	40	EDGB	
COc1ccc(C(=O)NNC(=O)COc2cccc(C)c2)cc1OC	1479728	CBRPJHRPXDHTPB-UHFFFAOYSA-N	344.367	1.852	50	40	EDGB	
Cc1c(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)sc(N)c1C#N	408723850	VFZXFXBWYHIRDU-UBKPWBPPSA-N	345.340	1.888	50	40	EDGB	
C[C@H](C(=O)NNC(=O)[C@H]1C(=O)Nc2ccccc2C1=O)C(C)(C)C	585087880	ZLYLNZXXJAUQDY-BXKDBHETSA-N	331.372	1.267	50	40	EDGB	
CCCc1nc2c(n1C(=O)OCC)OC(N)=C(C#N)C21CCNCC1	4639743	BUCRQPYAIUVGSU-UHFFFAOYSA-N	345.403	1.548	50	40	EDGB	
O=C1OC(=O)[C@H]2[C@H]1[C@]13CCCC1=C1CC[C@]34C(=O)OC(=O)[C@@]43C[C@]123	103836209	SCXMMDDLZBZWFH-WIVDVOGCSA-N	326.304	1.036	50	40	EDGB	
Cc1cccc(O[C@H](C)C(=O)NN[C@@H](C(N)=O)c2ccccc2)c1C	26222784	WPDVCUKLGZSHOW-RHSMWYFYSA-N	341.411	1.918	50	40	EDGB	
CN(C)CN1C(=O)/C(=N\NC(=O)c2cccs2)c2ccccc21	20215582	QEQXZRMCDPPZDO-VKAVYKQESA-N	328.397	1.748	50	40	EDGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\NC(=O)Nc1ccc(F)cc1	16693800	HXPRHLAVDDWQSN-JYRVWZFOSA-N	328.303	1.670	50	40	EDGB	
CCO[Si](OCC)(OCC)c1c(OC)cc(OC)cc1OC	200540049	GUOQTVOWRZXGPJ-UHFFFAOYSA-N	330.453	1.968	50	40	EDGB	
CN(C(=O)CI)c1ccc(C(=O)O)c(O)c1	1691425	IEEJKHWBXMHLNO-UHFFFAOYSA-N	335.097	1.488	50	40	EDGB	
COc1ccc(OCC(=O)N/N=C/c2cccc3c2OCCO3)cc1	54868302	MQVKKCCNLPUCOU-YBFXNURJSA-N	342.351	1.996	50	40	EDGB	
CCOc1cc([C@@H]2NC(=O)NC(CCl)=C2C(=O)OC)ccc1O	57508992	YBIPYWKEYNEZRY-ZDUSSCGKSA-N	340.763	1.811	50	40	EDGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O	38179403	SQSKNLPIUWAZLC-RQZCQDPDSA-N	342.311	1.698	50	40	EDGB	
CN(C)c1ccc(C=NNC(=O)Cn2cnc3ccccc3c2=O)cc1	16901283	WTXHMUXSXLDBER-UHFFFAOYSA-N	349.394	1.613	50	40	EDGB	
COCCCNC(=O)/C(C#N)=C/c1c(OC)cc(OC)cc1OC	95351093	RJMDKWHPMSHLLR-XYOKQWHBSA-N	334.372	1.772	50	40	EDGB	
COc1cc(I)cc(/C=N/NC(C)=O)c1OC	409009773	BVPSDJSZHQAYRK-AWNIVKPZSA-N	348.140	1.778	50	40	EDGB	
O=C(NN=Cc1ccc([N+](=O)[O-])o1)N/N=C/c1ccc([N+](=O)[O-])o1	585163041	UUVQUGBOOQEKFH-BATKHNICSA-N	336.220	1.356	50	40	EDGB	
COc1cc(/C=N/NC(=O)c2ccn[nH]2)cc(Br)c1O	552964	XNTZBKXXKUXDMU-GIDUJCDVSA-N	339.149	1.650	50	40	EDGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(F)c1	3132042	CHMLGBLNOGTPJY-RQZCQDPDSA-N	330.275	1.823	50	40	EDGB	
CCCCCCC(=O)NN/C=C1\C(=O)N(C2CC2)C(=S)N=C1O	2589391	SOJQPAFXMIPSOX-LUAWRHEFSA-N	338.433	1.708	50	40	EDGB	
NC1=N/C(=N\NC(=O)COc2ccc(Cl)cc2)c2ccccc21	31907721	GDBXHQMHQVWBLB-UHFFFAOYSA-N	328.759	1.916	50	40	EDGB	
CCOC(=O)C(=O)NNc1ccccc1I	2322914	IJACLFLFRGODCJ-UHFFFAOYSA-N	334.113	1.297	50	40	EDGB	
CCCCn1c(N)c(N(C(=O)CCl)C2CCCC2)c(=O)[nH]c1=O	4219044	UTOBCOBTKRGBKQ-UHFFFAOYSA-N	342.827	1.433	50	40	EDGB	
C[C@@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)c1cccc(Cl)n1	585114257	VGEKCIXJVKQRSN-ZJUUUORDSA-N	327.768	1.080	50	40	EDGB	
Cc1nn(CC(=O)N/N=C/c2c(C)nn(C)c2F)c(C)c1Cl	252509590	YQURLMAMXFILJU-FZSIALSZSA-N	326.763	1.485	50	40	EDGB	
CCn1c(C)nc2cc(C(=O)NNC(=S)N[C@H](C)COC)ccc21	16211739	HOSQQHIZMADBKP-SNVBAGLBSA-N	349.460	1.508	50	40	EDGB	
C[C@]1(C(=O)O)CC[C@@H](C(=O)N2CCOCC2)[C@]1(C)CBr	4228074	KYPWRZWNQIDSON-GDLCADMTSA-N	348.237	1.747	50	40	EDGB	
N#C/C(=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(N)=O	329061	JVXKSULQXWMRDS-FLIBITNWSA-N	331.353	1.150	50	40	EDGB	
C[C@H](NC(=O)C(=O)N/N=C/c1ccccc1[N+](=O)[O-])c1ccccc1	59515403	FKDMCUUJIDXLPP-HWQJWEFDSA-N	340.339	1.922	50	40	EDGB	
CC1(C)[C@]2(C(=O)N3CCNCC3)CC[C@@]1(C)C(=O)[C@@H]2Br	108624936	MMPGHLULZXDWJQ-NZVBXONLSA-N	343.265	1.577	50	40	EDGB	
O=C(Cl)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F	96345845	YMOJBXUYDGUEBE-MRVPVSSYSA-N	340.781	1.166	50	40	EDGB	
N#C/C(=C/c1ccc(N2CCOCC2)cc1)C(=O)NC[C@H]1CCCO1	97990549	SVDYYIPJOXEELG-XSVZSIDJSA-N	341.411	1.725	50	40	EDGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1O	409258393	WVSPBWRSZNTDOG-RGVLZGJSSA-N	341.367	1.476	50	40	EDGB	
O=C(O)[C@H]1C[C@H](Br)[C@@H](Br)C[C@H]1C(=O)O	5377060	XXADRWGJEKUZPR-FSIIMWSLSA-N	329.972	1.709	50	40	EDGB	
O=C(COC(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)c1cccs1	11025801	SQOHQOUFQNBYGL-UHFFFAOYSA-N	349.324	1.274	50	40	EDGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC=C)c(OCC)c1	5464364	CRGGMZMSJJDVLY-XDHOZWIPSA-N	331.372	1.402	50	40	EDGB	
COCCCNC(=O)c1cccc(NC(=O)CBr)c1	35605405	RKEIVZWZXPGIFE-UHFFFAOYSA-N	329.194	1.786	50	40	EDGB	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccnc3)[C@H]2C1	5585556	YKICMAHBHJDWAA-DLBZAZTESA-N	330.395	1.827	50	40	EDGB	
CC(=O)N[C@H](CC(=O)NNC(=O)c1ccc(F)cc1)c1ccccc1	6856987	SHQRKDCEAGKTLV-MRXNPFEDSA-N	343.358	1.854	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccc2onc(Cl)c2c1)C1CCCC1	585118822	DAIVAQVHODOXSK-UHFFFAOYSA-N	343.792	1.981	50	40	EDGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(O)c2)c(OC)c1	4499509	LACKUHXZVCFSNN-VCHYOVAHSA-N	343.339	1.498	50	40	EDGB	
COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)Cc2ccc(F)cc2)c1C	24302275	FVKCMTVNTKSDAM-UHFFFAOYSA-N	347.346	1.561	50	40	EDGB	
O=C(COc1cccc(Br)c1)NNC(=O)C1CCC1	3350083	QYNYJGCHBDSTPH-UHFFFAOYSA-N	327.178	1.775	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)s1	8746597	XULGCZMFCMDOTD-UHFFFAOYSA-N	328.397	1.947	50	40	EDGB	
O=C(CCl)N(c1ccccc1Cl)[C@H]1CS(=O)(=O)C[C@@H]1O	217384956	LTGIRBFKKSFMKE-QWRGUYRKSA-N	338.212	1.070	50	40	EDGB	
O=[N+]([O-])c1ccc(-n2nc(CCl)c([N+](=O)[O-])n2)c([N+](=O)[O-])c1	100932311	IKOUZDIMTMKFRQ-UHFFFAOYSA-N	328.628	1.731	50	40	EDGB	
Cc1ccccc1C(=O)NNC(=O)c1cccc(N2CCNC2=O)c1	44980901	FAEXUIVHYRRMAI-UHFFFAOYSA-N	338.367	1.599	50	40	EDGB	
O=C(O)COc1cccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1	408750092	XHXLTCWLHRYWSF-RQZCQDPDSA-N	343.295	1.822	50	40	EDGB	
CS(=O)(=O)[C@@H](I)[C@@H](O)c1ccccc1F	96519195	ADZCZSARIKPSEA-DTWKUNHWSA-N	344.145	1.665	50	40	EDGB	
C[Si]1(C)O[Si](C)(C)N(N)P(=O)(Oc2ccccc2)N1N	195753696	LQSXJGVBUNHWFI-UHFFFAOYSA-N	332.449	1.959	50	40	EDGB	
C[C@]1(C(=O)Nc2ccc(N3CCNCC3)cn2)C[C@H]1Br	1616038294	FJVPTOUQRVJMJW-RISCZKNCSA-N	339.237	1.603	50	40	EDGB	
Cc1ccc(C(=O)O)cc1S(=O)(=O)NNC(=O)c1ccccc1	12773649	BPNNSEUYXBUVIR-UHFFFAOYSA-N	334.353	1.317	50	40	EDGB	
O=C(CC[C@H]1CCCO1)NNC(=O)c1cc(Br)c[nH]1	46320202	MODOMBZZPVTIMB-SECBINFHSA-N	330.182	1.497	50	40	EDGB	
CCCCN(C(=O)CCCCl)c1c(N)n(CCC)c(=O)[nH]c1=O	2650114	JVNALLLQTRHXLC-UHFFFAOYSA-N	344.843	1.681	50	40	EDGB	
C[C@@H](O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	58882266	GPNVIUWKZPJUPY-OTGIAGGSSA-N	341.367	1.535	50	40	EDGB	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@@H]1COc2ccccc2O1	12983617	PGJSGJCSAKWVKE-HNNXBMFYSA-N	346.770	1.870	50	40	EDGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OCC(N)=O)cc1	408756895	YDAPOUUFKBLWNR-KEBDBYFISA-N	341.367	1.632	50	40	EDGB	
O=C(N/N=C/[C@@H]1C[C@@H]2C=C[C@@H]1C2)C(=O)N/N=C/[C@@H]1C[C@@H]2C=C[C@@H]1C2	225696897	NGTNPOWMSTVRGR-XQHLDNSNSA-N	326.400	1.615	50	40	EDGB	
NNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1	354522	GCUKFUYVUWDOQJ-GXDHUFHOSA-N	326.312	1.356	50	40	EDGB	
N#C/C(=C\c1ccc(N2CCOCC2)cc1)C(=O)NC[C@H]1CCCO1	5898886	SVDYYIPJOXEELG-FXFXYLOPSA-N	341.411	1.725	50	40	EDGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)cc1O	20086748	KKSQDTXAUXSNCB-HNNXBMFYSA-N	339.351	1.626	50	40	EDGB	
COc1ccc(CCC(=O)NNC(=O)COc2ccccc2F)cc1	3613903	STEDPUQXPLQZOV-UHFFFAOYSA-N	346.358	1.993	50	40	EDGB	
CC(C)CNC(=O)C(=O)NNC(=O)COc1cccc2ccccc12	4784883	BALUNFZWDSPZPH-UHFFFAOYSA-N	343.383	1.138	50	40	EDGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2O)c(OC)c1	4702989	QZLFTXXVRNTJJU-VCHYOVAHSA-N	343.339	1.498	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccn1	16099757	YZRUSSHZPCZJDP-UHFFFAOYSA-N	345.302	1.724	50	40	EDGB	
CC(C)=NNC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O	408774869	YKPPWFONDWXXFT-UHFFFAOYSA-N	331.825	1.926	50	40	EDGB	
NNC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F	97941862	SDELTKRIHUURAT-UHFFFAOYSA-N	340.092	1.875	50	40	EDGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(COC)c32)ccc1O	8569235	FVLBBJMEWCMBJH-CQSZACIVSA-N	342.355	1.879	50	40	EDGB	
COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccccc2OC)cc1	4838885	OHVGNXDPZMJXBI-UHFFFAOYSA-N	343.339	1.104	50	40	EDGB	
O=C(NN[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1=O)c1ccccc1	104346405	ZJOPJEKWJITQOU-CQSZACIVSA-N	345.305	1.531	50	40	EDGB	
Cn1cc(Cl)cc1C(=O)NNC(=O)c1ccccc1-n1cccn1	44378770	QZWLLFZGZVVVPY-UHFFFAOYSA-N	343.774	1.939	50	40	EDGB	
O=C(NNC(=O)c1ccccc1O)c1ccc(N2CCOCC2)cc1	64023423	LCOLPTGQDVXTNA-UHFFFAOYSA-N	341.367	1.304	50	40	EDGB	
O=C(CI)CN1C(=O)c2ccccc2C1=O	78210793	CKNVDEBXZYTHKY-UHFFFAOYSA-N	329.093	1.287	50	40	EDGB	
COC(=O)c1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1	3057707	FEVZQKIIJGQODW-UDWIEESQSA-N	339.351	1.240	50	40	EDGB	
C=C1C(=O)O[C@@H]2C/C(C=O)=C/[C@H]3O[C@@H]3/C(COC(=O)C(C)C)=C/C[C@@H]12	104095990	DKEPXXSPYUPBQB-UKRMJGJASA-N	346.379	1.896	50	40	EDGB	
Cc1cc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)ccc1[N+](=O)[O-]	3506451	HVEUGBQOODQSTA-UHFFFAOYSA-N	344.283	1.886	50	40	EDGB	
N#CC1=C(N)n2ncnc2N[C@@H]1c1ccc(F)c(Br)c1	18199347	GZLLONZSDISJSF-SNVBAGLBSA-N	335.140	1.997	50	40	EDGB	
Cc1nn(C)c(F)c1/C=N/NC(=O)Cn1nc(C(F)F)cc1C	252479831	BNMIJDXEFNJJSE-YAXRCOADSA-N	328.298	1.460	50	40	EDGB	
COc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1[N+](=O)[O-]	6182325	HVVSBKQQXYOJIM-WHGQRRHOSA-N	331.328	1.806	50	40	EDGB	
COc1cc(C2C(C#N)=C(N)OC(N)=C2C#N)cc(OC)c1OC	5512490	GWFGLOWSAJNQJD-UHFFFAOYSA-N	328.328	1.214	50	40	EDGB	
COCCNC(=O)CSC1=C(C#N)[C@H](c2ccccc2)CC(=O)N1	6441111	SCKUPCPFVCEGGW-ZDUSSCGKSA-N	345.424	1.521	50	40	EDGB	
CN(CC(=O)N/N=C/c1ccco1)S(=O)(=O)c1ccc(F)cc1	6545012	DHXGZYUPCPWRNJ-CXUHLZMHSA-N	339.348	1.190	50	40	EDGB	
COc1cccc(OC)c1OCC(=O)N/N=C/c1ccccc1O	508281	HHDAHYVRMMTACT-VCHYOVAHSA-N	330.340	1.939	50	40	EDGB	
COc1cc([N+](=O)[O-])cc(/C=N\NC(=O)c2ccc(C)nc2)c1O	2322587	VDATZBGSCQQICH-IUXPMGMMSA-N	330.300	1.776	50	40	EDGB	
Cc1nc(/C=C/C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cs1	14290882	MQGXRDNEBNJLLI-PSKZRQQASA-N	345.380	1.452	50	40	EDGB	
CC[C@H](C)N1C(=O)/C(=C\NNC(=O)c2ccncc2)C(O)=NC1=S	34629414	ILEULSHQMGAUCF-ANHFWZFOSA-N	347.400	1.082	50	40	EDGB	
CCOC(=O)/C(C#N)=C/c1ccc(OCC(=O)N2CCOCC2)cc1	559291	ZCRPSWGHKVSACW-RVDMUPIBSA-N	344.367	1.394	50	40	EDGB	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)c1n[nH]c2ccccc12	7738575	BHBYKQWRMNFMRI-LLVKDONJSA-N	349.350	1.663	50	40	EDGB	
O=C(N/N=C\c1ccc([N+](=O)[O-])s1)[C@@H]1COc2ccccc2O1	4957487	XXTQEWLVRQUOKU-CUTJPZLCSA-N	333.325	1.946	50	40	EDGB	
O=C(CCl)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1	8155951	QSLNLCOVLFALLS-UHFFFAOYSA-N	337.228	1.412	50	40	EDGB	
COc1ccc(CC(=O)NNC(=O)COc2ccccc2F)cc1	3613945	WYCPPOLLBSWBBP-UHFFFAOYSA-N	332.331	1.603	50	40	EDGB	
O=C(COc1ccc(Cl)cc1Cl)NNC(=O)C1=COCCO1	32999877	OJUQQSAYMHJXMY-UHFFFAOYSA-N	347.154	1.408	50	40	EDGB	
O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4nccs4)[C@@H]13)[C@H]2Br	102605276	MZOXLTILEBFDPQ-NZJLWHDDSA-N	343.202	1.653	50	40	EDGB	
CCOCCCNC(=O)/C(C#N)=C/c1ccccc1OCC(=O)O	13343035	DPQITYNKGYXHGG-GXDHUFHOSA-N	332.356	1.600	50	40	EDGB	
Cc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)c(C)c1	7428725	RMPKRPYEYQLQJO-UHFFFAOYSA-N	348.380	1.655	50	40	EDGB	
COc1ccc(CC(=O)NNC(=O)Cc2cn3ccsc3n2)cc1	9338299	FUZHWWJAZLWDPR-UHFFFAOYSA-N	344.396	1.337	50	40	EDGB	
N#C/C(=C\c1ccc(OCC(=O)NCc2ccccc2)cc1)C(N)=O	408792859	CUBIIRPAEVNWRI-MHWRWJLKSA-N	335.363	1.774	50	40	EDGB	
CC(C)(C)NC(=O)NN(c1ccccc1)[C@H]1CCS(=O)(=O)C1	5713865	UAPQSMYHFVFKLL-ZDUSSCGKSA-N	325.434	1.693	50	40	EDGB	
Cc1cccc(C(=O)NNC(=O)CN2C(=O)c3ccccc3C2=O)c1	146539	LYCDVOWZJAEPAX-UHFFFAOYSA-N	337.335	1.052	50	40	EDGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)N(CC)CC)cc1OC	59515663	DLKOOGSMVREGGZ-LDADJPATSA-N	333.388	1.579	50	40	EDGB	
O=C1O[C@H]2[C@@H]3C[C@@H]([C@H]2Br)[C@H](C(=O)NCc2ccco2)[C@@H]13	102604197	PSQXIPJKVJKDLH-IXJGYNTHSA-N	340.173	1.467	50	40	EDGB	
N#C/C(=C/c1ccc(OCC(=O)NC2CCCCC2)cc1)C(N)=O	12250065	BIPBHEQNGDNTHO-UVTDQMKNSA-N	327.384	1.907	50	40	EDGB	
COc1ccc(/C=N/NC(=O)C(=O)NC2CCCC2)cc1[N+](=O)[O-]	59459751	IFIAZRZJKZGWQS-CXUHLZMHSA-N	334.332	1.112	50	40	EDGB	
N#CCOc1ccc(/C=N/NC(=O)CSc2ncccn2)cc1	6238305	CEJHAECEDSWVQZ-VXLYETTFSA-N	327.369	1.621	50	40	EDGB	
Cn1cccc1-c1cc(C(=O)N/N=C2/C(=O)Nc3ccccc32)[nH]n1	5687320	OGWVNOPIBCTONV-UHFFFAOYSA-N	334.339	1.501	50	40	EDGB	
O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1O	7812951	RQEABCOFWWDQNJ-VXLYETTFSA-N	331.759	1.812	50	40	EDGB	
COC(=O)c1ccccc1S(=O)(=O)NNC(=O)Nc1ccccc1	1382501	MYBLUWDNFWWPTQ-UHFFFAOYSA-N	349.368	1.488	50	40	EDGB	
Cc1nc(C(=O)NNC(=O)c2cccnc2)nn1-c1ccc(F)cc1	13002055	UIZNXCBYYPFNJI-UHFFFAOYSA-N	340.318	1.185	50	40	EDGB	
CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N\Nc1ccc(C)c(C)c1	18114817	NJKHLBREKQRFLT-HKWRFOASSA-N	326.356	1.273	50	40	EDGB	
CCn1ncc(/C=N/NC(=O)c2n[nH]c([N+](=O)[O-])c2Cl)c1F	252491192	LIXYYDMFKCIQAS-QLKAYGNNSA-N	329.679	1.091	50	40	EDGB	
CC(=O)Nc1cc(S(=O)(=O)NCC(Cl)Cl)ccc1F	585114554	JDEDXEUTXRZCLF-UHFFFAOYSA-N	329.180	1.866	50	40	EDGB	
O=C(NNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O)c1cccc([N+](=O)[O-])c1	372921	CAAFBCSMAXUICZ-NEPJUHHUSA-N	333.300	1.023	50	40	EDGB	
Cc1cc2ncn(CCC(=O)NNC(=O)c3ccncc3)c2cc1C	418179	GHZJEQYEYYWGCX-UHFFFAOYSA-N	337.383	1.899	50	40	EDGB	
O=C(CCN1CCCC1=O)NNC(=O)Cc1cccc2ccccc12	65564962	GTOSEOHRTHKLMU-UHFFFAOYSA-N	339.395	1.542	50	40	EDGB	
O=C(NNC(=S)NC(=O)c1cccc(Cl)c1)c1ccncc1	32118940	FXLQWVNEIUUBAQ-UHFFFAOYSA-N	334.788	1.684	50	40	EDGB	
CCS(=O)(=O)[C@H](Br)C(=O)c1cccc([N+](=O)[O-])c1	96517877	QKQVWXWAVGYCLB-JTQLQIEISA-N	336.163	1.933	50	40	EDGB	
Cc1cn(CO[C@@H](CCl)COCc2ccccc2)c(=O)[nH]c1=O	1443189	UBAKZMLYROXKNL-AWEZNQCLSA-N	338.791	1.643	50	40	EDGB	
C[C@@]1(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)CC1(Cl)Cl	2345279	SSANHVQXRMAITP-NSHDSACASA-N	332.143	1.940	50	40	EDGB	
C/C(=N/NC(=O)C(N)=O)c1cccc(NC(=O)C2CCCCC2)c1	4156338	MKTAXUZMSGURQV-JAIQZWGSSA-N	330.388	1.531	50	40	EDGB	
COCCn1c(C)cc2c(c1=O)[C@@H](c1ccco1)C(C#N)=C(N)O2	2329841	LEGHMNLGYKZMMW-CQSZACIVSA-N	327.340	1.614	50	40	EDGB	
O=C(N/N=C/c1cccnc1)c1c(O)c2cccc3c2n(c1=O)CC3	100862297	OEPDRCDVMBSMSU-KEBDBYFISA-N	334.335	1.422	50	40	EDGB	
COc1ccc(/C=N/NC(=O)COc2ccccc2O)cc1OC	28294529	QHYAKFZACSXVPD-VCHYOVAHSA-N	330.340	1.939	50	40	EDGB	
C[C@@H]1C[C@@H]1C(=O)OCC(=O)NNC(=O)COc1ccc(Cl)cc1	5693911	YQGCQIITIUCZSB-SKDRFNHKSA-N	340.763	1.065	50	40	EDGB	
Nc1nonc1C(=O)N/N=C/c1ccc(-c2ccc(F)cc2F)o1	408975174	IWJSWHOVPGESIL-NGYBGAFCSA-N	333.254	1.954	50	40	EDGB	
Cn1cccc1/C=N\NC(=O)CSc1nnnn1-c1ccccc1	33309436	LLXRBQUHLHBXAM-YBEGLDIGSA-N	341.400	1.243	50	40	EDGB	
COc1cc(OC)cc(C(=O)N/N=C2/C(=O)N(C)c3ccccc32)c1	138209268	ZMXRGYGQPWBFJY-KNTRCKAVSA-N	339.351	1.814	50	40	EDGB	
Cc1cccc(NC(=O)C(=O)N/N=C2/C(=O)N(C)c3ccccc32)c1	3118621	MNWKOUBKXFQIRR-HMMYKYKNSA-N	336.351	1.430	50	40	EDGB	
O=C(O)COc1ccccc1/C=N/NC(=O)CNc1ccccc1	43241	BNWNGHRVERXKKC-VXLYETTFSA-N	327.340	1.712	50	40	EDGB	
COc1ccc(/C=C/C(=O)N/N=C/C2=c3ccccc3=C=C=C2)cc1	103589231	QRSYPMWCGWMVPI-NODMLJAHSA-N	328.371	1.766	50	40	EDGB	
O=C(CNc1cccc([N+](=O)[O-])c1)N/N=C/c1ccc([N+](=O)[O-])o1	2077412	OTCNRYJGZMAWRN-VIZOYTHASA-N	333.260	1.658	50	40	EDGB	
Cc1cc(C)n(CC(=O)NNC(=O)C2=Cc3ccccc3OC2)n1	15758381	FYAIXAIUNVVXGD-UHFFFAOYSA-N	326.356	1.123	50	40	EDGB	
CCn1ncc(/C=N/NC(=O)Cn2nc(C(F)F)cc2C)c1F	252479133	AZTQJVYDUJNQFS-YAXRCOADSA-N	328.298	1.635	50	40	EDGB	
NNC(=O)c1cc(Br)ccc1I	2580653	YTBVNRHDMJOPQJ-UHFFFAOYSA-N	340.946	1.657	50	40	EDGB	
O=C(NNC(=O)[C@@H]1CCCO1)c1nn(-c2ccccc2)c2c1CCC2	32260199	OIQYXHUIDKAKLY-HNNXBMFYSA-N	340.383	1.301	50	40	EDGB	
CC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1	23199209	XQQXHLAFECMOPD-ZDUSSCGKSA-N	331.397	1.257	50	40	EDGB	
O=C(NN[C@@H]1CCS(=O)(=O)C1)Nc1ccc(Cl)c(Cl)c1	10362345	WUSOZBRHBJBZPG-MRVPVSSYSA-N	338.216	1.807	50	40	EDGB	
O=C(Cc1ccccc1)NNC(=O)c1cncc(Br)c1	13020764	PBOWLNVQPRAXFG-UHFFFAOYSA-N	334.173	1.848	50	40	EDGB	
O=C(CCl)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1	13689497	ZKYCMLQDQOHVIC-COSLTZMUSA-N	344.845	1.527	50	40	EDGB	
CCN1CC=C2[C@@H](C1)[C@@H](c1ccncc1)C(C#N)=C(N)C2(C#N)C#N	19828112	HJQSNRQIRXLQIX-WBVHZDCISA-N	330.395	1.827	50	40	EDGB	
CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)NC(C)=C2C#N)cc1	14165573	ZPWOTQVRILWZLN-CYBMUJFWSA-N	327.340	1.735	50	40	EDGB	
COc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)ccc1OC(C)=O	59065	IIXUZFSBNZNCTJ-WAKXPGHKSA-N	342.351	1.804	50	40	EDGB	
Cc1nnc(SCC(=O)NNC(=O)c2ccccc2F)s1	5054085	JKOMGOIWJSLDRB-UHFFFAOYSA-N	326.378	1.539	50	40	EDGB	
C[C@@H](C(=O)N/N=C/c1cccnc1)N(c1ccccc1)S(C)(=O)=O	408925186	NKUKCSKJSGAHLV-HTMJNSLASA-N	346.412	1.386	50	40	EDGB	
O=C(NCc1ccccc1)C(=O)N/N=C/c1cc(Cl)ccc1O	409155700	MDRIRDRCVFPMDW-VXLYETTFSA-N	331.759	1.812	50	40	EDGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)c1ccccc1N	5738306	MCTFNTWSQUZJQA-GIJQJNRQSA-N	344.327	1.958	50	40	EDGB	
N#C/C=C1\N(C(=O)CCl)N=C(N2CCOCC2)N1c1ccccc1	34877401	QREZLYYFTNBKOM-NSIKDUERSA-N	345.790	1.542	50	40	EDGB	
CCN1C(=O)/C(=N\NC(=O)c2ccc(/C=N/O)nc2)c2ccccc21	5686911	HKADTUWYMWRKJH-OZHPNWNBSA-N	337.339	1.390	50	40	EDGB	
CC(=O)NNC(=S)N/C=C\c1c(C)ccc([N+](=O)[O-])c1[N+](=O)[O-]	5855698	VXJHGCQQFDDNBJ-WAYWQWQTSA-N	339.333	1.297	50	40	EDGB	
C/C(Cn1cccn1)=N/NC(=O)c1cc(C)nc2c1c(C)nn2C	17066603	SQUMPHDCWSQZGR-ODLFYWEKSA-N	325.376	1.588	50	40	EDGB	
O=C(Cc1c(F)cccc1Cl)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl	9577326	BEKFLCCBKDRBQY-GXSJLCMTSA-N	340.203	1.542	50	40	EDGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CSc2ncccn2)cc1	408782148	WGJWAMHDAVCXPP-GIJQJNRQSA-N	330.369	1.644	50	40	EDGB	
Cc1ccccc1C(=O)NNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12	57677046	AFKKMFXTCSRNKO-WBMJQRKESA-N	333.413	1.210	50	40	EDGB	
Cc1cccc(OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1	5548518	ZXUUNRAWZUYQDM-MRXNPFEDSA-N	342.351	1.361	50	40	EDGB	
CC(C)(C)C(=O)NCC(=O)NNC(=O)c1ccc2ccccc2n1	21008332	UQFRWMHQVHABSC-UHFFFAOYSA-N	328.372	1.158	50	40	EDGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccccn2)cc1OC	59516216	IAZRKZDMPIDYQG-VCHYOVAHSA-N	328.328	1.188	50	40	EDGB	
COc1ccccc1C(=O)NNC(=O)CCC(=O)Nc1ccccc1	8495937	QVQFTKXWUYNVSJ-UHFFFAOYSA-N	341.367	1.875	50	40	EDGB	
C/C=C/C=C/C(=O)NNC(=O)c1nn(CCC)c(=O)c2ccccc12	6929923	UVFGVKSXFWNBOB-JFDBYLHYSA-N	340.383	1.700	50	40	EDGB	
Cc1ccccc1C(=O)NNC(=O)[C@H]1CCCN(c2ncccn2)C1	1357795	WOXAQZDRXWZOPT-AWEZNQCLSA-N	339.399	1.463	50	40	EDGB	
N#CCc1ccccc1C(=O)NNC(=O)c1cc(Br)c[nH]1	44980477	XIGYFYYXZHNLQX-UHFFFAOYSA-N	347.172	1.918	50	40	EDGB	
COc1ccc(NC(=O)CCC(=O)N/N=C/c2cccnc2)cc1	2399179	PUUZHZBZOQBXFR-XDHOZWIPSA-N	326.356	1.959	50	40	EDGB	
COc1cccc(C(=O)NNC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)O)c1	4651853	DUMBLRUBVNUKHN-LSDHHAIUSA-N	346.383	1.903	50	40	EDGB	
C[C@@H](Oc1ccccc1)C(=O)N/N=C\c1ccc(OCC(N)=O)cc1	32112047	PMVAFCNKVZCXDL-RBFBNPFJSA-N	341.367	1.468	50	40	EDGB	
O=S1(=O)C[C@H](NC(=S)OC[C@@H](Cl)CCl)[C@@H](Cl)C1	216182868	BHUPKUYAZIKGBS-ACZMJKKPSA-N	340.681	1.128	50	40	EDGB	
CC1(C)C(c2ccccc2)=[N+]([O-])[C@@]2(CCCC/C2=N\NC(N)=O)N1O	13098288	TUYGEOOIWJBQMS-AMRJIULGSA-N	345.403	1.764	50	40	EDGB	
CCc1cc2cc3c(cc2nc1SCC(=O)NNC(C)=O)OCO3	412584	LYZGFMDWFCUQDO-UHFFFAOYSA-N	347.396	1.785	50	40	EDGB	
O=C(N/N=C/c1c(Cl)nc2ccccn2c1=O)c1ccncc1	3173220	WBAKPZHFHBINSL-GIJQJNRQSA-N	327.731	1.507	50	40	EDGB	
COc1cc(OC)c(/C=N/NC(=O)CC2(C)OCCO2)cc1Cl	408588216	IIVQOSCKWSTPRK-RQZCQDPDSA-N	342.779	1.960	50	40	EDGB	
COc1cc([C@H]2C(C#N)=C(O)NC(=O)[C@H]2[n+]2ccccc2)ccc1O	4551271	DHMDSAYZFPTYPT-HOTGVXAUSA-O	338.343	1.436	50	40	EDGB	
O=C(Cn1ccccc1=O)NNC(=O)c1cc2c(s1)CCCCC2	7950513	HGFOUNQEXOBUIK-UHFFFAOYSA-N	345.424	1.640	50	40	EDGB	
CC(C)NC(=O)NNC(=O)c1cccn(Cc2cccc(F)c2)c1=O	23136097	MCHXNPOZBQNKMA-UHFFFAOYSA-N	346.362	1.388	50	40	EDGB	
C[n+]1ccc(C(=O)NNC(=O)c2ccc(Br)cc2)cc1	3137505	DOQZJRFVBTWOCG-UHFFFAOYSA-O	335.181	1.348	50	40	EDGB	
O=C1[C@H]2[C@@H]3C[C@@H]4[C@@H]([C@H]3[C@H]1Br)[C@@H](Br)C(=O)[C@H]42	100587858	ASRUXQHQIUKJHH-ZVBYGJKFSA-N	334.007	1.793	50	40	EDGB	
C=CCOc1ccc(/C=N/NC(=O)CC(=O)NCCCOC)cc1	59459643	AMHRFEVGBLQANL-CPNJWEJPSA-N	333.388	1.244	50	40	EDGB	
Cc1cc(C(=O)NNC(=O)CNC(=O)c2ccccc2Cl)c(C)o1	3559920	YNHMVGJPFCXFHM-UHFFFAOYSA-N	349.774	1.741	50	40	EDGB	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1C	13252869	QHTOTNDWQCTMIN-CABCVRRESA-N	346.383	1.497	50	40	EDGB	
COc1cc(C(=O)NNC(=O)c2cccnc2)cc(OC)c1OC	14015545	RVMAKEHNOQHHSW-UHFFFAOYSA-N	331.328	1.182	50	40	EDGB	
N=C(NNC(=O)COc1ccc(Br)cc1)c1ccccn1	8023188	IDCYGEHGLZZWHK-UHFFFAOYSA-N	349.188	1.869	50	40	EDGB	
Cc1ncc(Br)c(C(=O)NNC(=O)c2ccccn2)n1	97102734	KGKALPJLMKWQTK-UHFFFAOYSA-N	336.149	1.017	50	40	EDGB	
COc1ccc(CC(=O)NNC(=O)c2cc(C)oc2C)cc1OC	5823381	PNARIQHZJRFWNN-UHFFFAOYSA-N	332.356	1.917	50	40	EDGB	
CCOC(=O)N1CCC2(CC1)C(C#N)=C(N)OC1=C2C(=O)CCC1	499589	FIFZRVOUNGMJGQ-UHFFFAOYSA-N	331.372	1.956	50	40	EDGB	
O=C(NNC(=S)NCc1cccs1)[C@H]1COc2ccccc2O1	8074744	UCYZIIDZOQONOM-CYBMUJFWSA-N	349.437	1.583	50	40	EDGB	
O=C(Cn1cnc2ccccc21)NNC(=S)NCc1ccco1	3324381	QCHCKQASDCMUTM-UHFFFAOYSA-N	329.385	1.325	50	40	EDGB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NN)cc2)cc1	3885834	BOPIQZHITNGCMJ-UHFFFAOYSA-N	335.385	1.490	50	40	EDGB	
Cc1cc(C)n(CC(=O)NNC(=O)COc2c(C)cccc2C)n1	6427225	RQMMRKBUIVVGBV-UHFFFAOYSA-N	330.388	1.343	50	40	EDGB	
CN(C)c1ccc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])o1	408992650	SSTWTSNSNTWPMC-SXGWCWSVSA-N	332.316	1.783	50	40	EDGB	
O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NNC(=O)[C@@H]1COc2ccccc2O1	104263102	RRTKYDGCZQQLJE-JFILPPLUSA-N	330.384	1.800	50	40	EDGB	
C[C@@H](CCl)Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C	4314858	RJKZNAREVSBDOK-LURJTMIESA-N	349.616	1.071	50	40	EDGB	
Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2NCCO)cc1	1701515	UAJQFZDNXSWJIP-UHFFFAOYSA-N	349.412	1.023	50	40	EDGB	
COc1ccc(C(=O)NC(=S)NNC(=O)c2ccncc2)cc1	6736463	XMYRQTSFODNKQN-UHFFFAOYSA-N	330.369	1.040	50	40	EDGB	
CNC(=O)NNC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1	56375947	YNIKJRRWWNSKLA-INIZCTEOSA-N	337.383	1.954	50	40	EDGB	
CNC(=O)NNC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1	56375948	YNIKJRRWWNSKLA-MRXNPFEDSA-N	337.383	1.954	50	40	EDGB	
O=C(NNC(=O)[C@@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O)c1ccccc1Cl	6059607	QRMZMFMPFWCDLO-HIAZDOBYSA-N	334.759	1.624	50	40	EDGB	
O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C\c1ccc2c(c1)OCO2	31829241	UITCRYNOCYQUDY-IUXPMGMMSA-N	343.295	1.853	50	40	EDGB	
COc1ccc2c(c1OC)C(=O)O[C@H]2NNC(=O)c1cccc(O)c1	5375407	QUUCPZGZZBWDNL-MRXNPFEDSA-N	344.323	1.513	50	40	EDGB	
N#CC1=C(SCC(N)=O)N[C@@H](N)[C@@H](C#N)[C@@H]1c1ccccc1Cl	19948514	FROLKSMEZVGXGF-QCZZGDTMSA-N	347.831	1.405	50	40	EDGB	
Cc1cc(C)n2nc(C(=O)N/N=C/c3ccc(N(C)C)cc3)nc2n1	131536	QECLIXVPFNNONN-VCHYOVAHSA-N	337.387	1.571	50	40	EDGB	
NC(=O)N/N=C1/C(=O)N(CCCOc2ccccc2)c2ccccc21	101194505	SQAQZZUKHVPIEO-CAPFRKAQSA-N	338.367	1.875	50	40	EDGB	
COc1ccccc1CC(=O)NNC(=O)Cc1nc2ccccc2[nH]1	9219543	FEGJSKLUQZAABP-UHFFFAOYSA-N	338.367	1.504	50	40	EDGB	
CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)NNC(=O)c2ccccc2O)C1	4651742	IMYVRAUNMDSWDR-QWHCGFSZSA-N	332.356	1.600	50	40	EDGB	
COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2cccs2)cc1	223159930	DVZYNQSTXXINRD-SXGWCWSVSA-N	331.353	1.624	50	40	EDGB	
COc1ccc(C(=O)N/N=C(\C)Cn2nc([N+](=O)[O-])cc2C)cc1	368513	SZDIDIQDIXQRSG-MHWRWJLKSA-N	331.332	1.914	50	40	EDGB	
COC(=O)CSC1=C(C#N)[C@@H](c2ccc(O)c(OC)c2)CC(=O)N1	9015495	CUNHUYZMDJJYRP-SNVBAGLBSA-N	348.380	1.646	50	40	EDGB	
COc1cc(C(=O)NNC(=O)c2ccccc2)cc(OC)c1OC	325107	CLZFLWLVTUXYBN-UHFFFAOYSA-N	330.340	1.787	50	40	EDGB	
CCNc1nc(Cl)nc(NNC(=O)[C@@H](C)Oc2ccccc2)n1	360598	YUVHOEPYVDSSLC-SECBINFHSA-N	336.783	1.867	50	40	EDGB	
COc1ccc(CC(=O)NNC(=S)NCc2ccccc2)cc1	3569936	ZNNBKASNMOMWCX-UHFFFAOYSA-N	329.425	1.933	50	40	EDGB	
O=C(O)[C@@H]1[C@@H]2C[C@H]([C@H]1C(=O)O)[C@@H](Br)[C@H]2Br	103610439	HECPLCNVJSYLGU-GVUNPQSCSA-N	341.983	1.565	50	40	EDGB	
Cc1ccc(CNC(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1	57990930	ISQHTPUPNMBYIP-UHFFFAOYSA-N	327.340	1.868	50	40	EDGB	
O=C(NNC(=O)c1ccccn1)c1ccc(NC2CC2)c([N+](=O)[O-])c1	8196675	MPMAPYYIEHTSPV-UHFFFAOYSA-N	341.327	1.639	50	40	EDGB	
CN(C)c1cccc(OCC(=O)N/N=C\c2ccc(N(C)C)o2)c1	408994805	JJBCILZSMOJXTC-WQRHYEAKSA-N	330.388	1.941	50	40	EDGB	
CCOc1ccc(Br)cc1/C=C/C(=O)NNC(N)=S	62714780	MDFHMZSVSBPLRD-ZZXKWVIFSA-N	344.234	1.725	50	40	EDGB	
O=C(NNS(=O)(=O)c1cccc2cccnc12)c1ccccc1	41091027	LKKFHDUIKFSKEU-UHFFFAOYSA-N	327.365	1.858	50	40	EDGB	
COC(=O)c1ccc(/C=N/NC(=O)C(=O)NC2CCCCC2)cc1	3058049	OHQACNMAWGFUJJ-WOJGMQOQSA-N	331.372	1.372	50	40	EDGB	
COc1cc(C(=O)NNC(=O)c2ccncc2)cc(OC)c1OC	258235	MVUOVEFCSUXCIF-UHFFFAOYSA-N	331.328	1.182	50	40	EDGB	
COc1cc([N+](=O)[O-])cc(C(OC(C)=O)OC(C)=O)c1OC(C)=O	1621406	JLHYNBFDOFTEQC-UHFFFAOYSA-N	341.272	1.654	50	40	EDGB	
COc1ccc(CC(=O)NNc2ncnc3c2cnn3C)cc1OC	546545	SLGZLNLPUSPSQN-UHFFFAOYSA-N	342.359	1.066	50	40	EDGB	
Cc1ccc2c(c1)/C(=N\NC(=O)COc1ccccc1C#N)C(=O)N2	12462554	ZBWLPRFKHGBYAZ-UHFFFAOYSA-N	334.335	1.718	50	40	EDGB	
O=C(CCc1nnc(-c2ccccc2)o1)NNC(=O)c1ccco1	28581883	PPDOTAAMOIPEQJ-UHFFFAOYSA-N	326.312	1.723	50	40	EDGB	
COC(=O)Cc1n[nH]c2c1[C@H](c1c[nH]c3ccccc13)C(C#N)=C(N)O2	5129902	MEEDWCOTUDHGMN-HNNXBMFYSA-N	349.350	1.825	50	40	EDGB	
CCC(=O)N[C@H](C(=O)NNC(=O)c1ccc(F)cc1)c1ccccc1	65501426	MZFCYRQTGMGBTR-INIZCTEOSA-N	343.358	1.854	50	40	EDGB	
O=C(Cc1cn2ccccc2n1)NNC(=O)c1ccc2ccccc2n1	65542687	PXJLRNZOFTXGNM-UHFFFAOYSA-N	345.362	1.886	50	40	EDGB	
O=C(CSc1nnc2ccccn12)NNC(=O)c1ccc(F)cc1	2620358	PUGYBVHRYNXNKH-UHFFFAOYSA-N	345.359	1.422	50	40	EDGB	
C[C@@]1(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1Br	2300694	HUEJJPPJVOBPHU-JOYOIKCWSA-N	342.149	1.529	50	40	EDGB	
CCOc1ccccc1[C@@H]1CC(=O)NC(SCC(N)=O)=C1C#N	9089512	UBKWPGJNTAONSU-NSHDSACASA-N	331.397	1.642	50	40	EDGB	
C[C@H](C(=O)N/N=C/c1ccncc1)N(c1ccccc1)S(C)(=O)=O	408906020	CDRMRPHYMNHITK-RNEAKCBISA-N	346.412	1.386	50	40	EDGB	
Cc1ccccc1[C@H](O)[C@H](I)S(C)(=O)=O	96519200	XQCSUUNWCNCHRT-VHSXEESVSA-N	340.182	1.834	50	40	EDGB	
COc1cc(/C=N/NC(N)=O)cc(I)c1O	1855619	JMASRTLJHMFKEI-UUILKARUSA-N	335.101	1.008	50	40	EDGB	
COc1ccc(C(=O)NNC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)O)cc1	4651745	NGEVVYSYBSFGFI-CABCVRRESA-N	346.383	1.903	50	40	EDGB	
Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccc(B(O)O)cc3)[nH]c2c1	584944247	JYJJVHZGMXXDKZ-KRWDZBQOSA-N	349.199	1.528	50	40	EDGB	
COc1ccc(C(=O)NN[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1	100792918	BMPHJXAGHZXNCQ-HNNXBMFYSA-N	339.351	1.262	50	40	EDGB	
O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccs1	1953623	XDQXOVKICNVSEX-UHFFFAOYSA-N	336.285	1.639	50	40	EDGB	
O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1	59383471	NIQOCBAHQCRZOF-DSSNYXJPSA-N	344.198	1.739	50	40	EDGB	
Cc1ccccc1C(=O)NNC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12	57677056	AFKKMFXTCSRNKO-MLGOLLRUSA-N	333.413	1.210	50	40	EDGB	
O=C(Cc1noc2ccccc12)NNC(=O)c1ccc(Cl)nc1	58381785	MWCDRBHLRBDKDC-UHFFFAOYSA-N	330.731	1.880	50	40	EDGB	
C[C@H](C(=O)N/N=C/c1ccco1)N(c1ccccc1)S(C)(=O)=O	408906533	GSTJKNGUTJWWHV-PILJQMSFSA-N	335.385	1.584	50	40	EDGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)CC)ccc1OCC(N)=O	408819945	ZNQSEDDBXIBTRD-ACLQVGRQSA-N	345.399	1.771	50	40	EDGB	
Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2[N+](=O)[O-])cc1	485328	BMQCMDKLNSLEDI-UHFFFAOYSA-N	335.341	1.527	50	40	EDGB	
O=C(N/N=C1\C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)N[C@@H]1CCS(=O)(=O)C1	102122298	IKNQMFZIFSCKKF-BQHFCXPVSA-N	325.434	1.285	50	40	EDGB	
COC(=O)[C@H]1[C@@H]2C[C@@H]3[C@@H](OC(=O)[C@]13C)[C@H]2I	103859479	BYKYYSISVSYONV-RLPIQZNASA-N	336.125	1.161	50	40	EDGB	
NC(=O)COc1ccccc1/C=N\NC(=O)c1ccc(Cl)cc1	409272889	UCAWAUYLWGMKSF-OCKHKDLRSA-N	331.759	1.968	50	40	EDGB	
C[C@@]12CCC(=O)N1[C@H](C(=O)NNC(=O)c1ccc(F)cc1)CS2	12982443	WRYYKATUNFPWAV-XHDPSFHLSA-N	337.376	1.041	50	40	EDGB	
C[C@H](NC(N)=O)C(=O)NNC(=O)c1cc2c(s1)CCCCCC2	28083050	AOQGQMLITJCRQH-VIFPVBQESA-N	338.433	1.225	50	40	EDGB	
Cc1cn(CO[C@H](CCl)COCc2ccccc2)c(=O)[nH]c1=O	1443188	UBAKZMLYROXKNL-CQSZACIVSA-N	338.791	1.643	50	40	EDGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)cc(Cl)c1O	6958724	JGHCVRRTLZSXEP-FRKPEAEDSA-N	327.768	1.419	50	40	EDGB	
C=C1C(=O)O[C@@H]2C/C(C=O)=C/[C@H]3O[C@@H]3/C(COC(=O)C(C)C)=C\C[C@@H]12	104095992	DKEPXXSPYUPBQB-MJLXEMKYSA-N	346.379	1.896	50	40	EDGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)CNC(=O)c1ccncc1	1903862	UVPVZRUIJXBRNP-UFFVCSGVSA-N	335.367	1.751	50	40	EDGB	
O=C(Cc1ccc(Cl)cc1)NNC(=S)NC(=O)c1cccnc1	2316275	ZCWQMDYHADDUCC-UHFFFAOYSA-N	348.815	1.613	50	40	EDGB	
Cc1ccc(/C=C/C(=O)NNC(=O)[C@H]2COc3ccccc3O2)o1	3341914	BABYGDGXQPBMJL-XVJNWHFHSA-N	328.324	1.589	50	40	EDGB	
O=C(CNC(=O)c1ccc2c(c1)OCO2)N/N=C\c1cccs1	4599080	CJSCZKDIWBLJGA-IDUWFGFVSA-N	331.353	1.357	50	40	EDGB	
O=C(NN[C@@H]1CC(=O)N(c2ccccc2)C1=O)c1ccccc1Cl	84460249	NEAUFXJUOGPPIH-CQSZACIVSA-N	343.770	1.907	50	40	EDGB	
CCOC(=O)N1CCN(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)CC1	101385597	XTCMAMAOGYYDAF-SEYXRHQNSA-N	346.362	1.946	50	40	EDGB	
C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)Cc1cc[nH]n1	69570919	IKAIQJXDGGAAMF-GFCCVEGCSA-N	344.415	1.865	50	40	EDGB	
CC(C)NC(=O)COc1ccc(/C=N/NC(=O)c2cccnc2)cc1	28214923	WCNSZCWZQFAYSO-KEBDBYFISA-N	340.383	1.749	50	40	EDGB	
CCO/C=C(\C#N)C(=O)Nc1ccc2c(c1)nc(C)n2C(CO)CO	585087564	LLUDJTAKLYUDFH-ZRDIBKRKSA-N	344.371	1.253	50	40	EDGB	
O=C(NNC1=C(Cl)C(=O)c2ccccc2C1=O)c1ccncc1	1671610	ZDRCWKIQSYFAAV-UHFFFAOYSA-N	327.727	1.846	50	40	EDGB	
COCCCNC(=O)CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1	59459715	HIDDJGYVMKNQIN-GIJQJNRQSA-N	346.214	1.986	50	40	EDGB	
O=C(Cc1ccccc1Cl)NNC(=O)[C@H]1COc2ccccc2O1	12846979	GPOYYQAYJHDIIK-OAHLLOKOSA-N	346.770	1.870	50	40	EDGB	
CCCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1	14190436	QDYKRFJQMCUKKP-UHFFFAOYSA-N	339.417	1.032	50	40	EDGB	
CN(C)c1ccc([C@H]2C(C#N)=C(O)NC(=O)[C@@H]2[n+]2ccccc2)cc1	4663302	HHIWBSAJJLGZPZ-DLBZAZTESA-O	335.387	1.788	50	40	EDGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccn2)c1OC	408720248	KIISWWRRCMWLHO-VCHYOVAHSA-N	328.328	1.188	50	40	EDGB	
O=C(CNC(=O)c1ccccc1)N/N=C\c1ccccc1[N+](=O)[O-]	5370261	RFNKVLNQUWULPU-ZDLGFXPLSA-N	326.312	1.475	50	40	EDGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(S)NC(=O)[C@H]1C(=O)OC	127712	XOZPMVQVWPEEBG-OLZOCXBDSA-N	332.381	1.753	50	40	EDGB	
COc1ccc2nc(C)cc(SC[C@@H](NC(C)=O)C(=O)NN)c2c1	5516211	IDLZJTRYSAWLOM-CQSZACIVSA-N	348.428	1.139	50	40	EDGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN)C2CCCCC2)cc1	223466908	COYDRQUPLZSTLR-UHFFFAOYSA-N	325.434	1.308	50	40	EDGB	
CSCC[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)NN	2555851	FGDPUEBTKXFHNW-SNVBAGLBSA-N	335.351	1.547	50	40	EDGB	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc2[nH]cnc2c1	24296177	DBLBMBCAWMAHHM-JTQLQIEISA-N	342.330	1.931	50	40	EDGB	
O=C(N[C@@H]1COCO[C@@H]1c1ccccc1[N+](=O)[O-])C(Cl)Cl	1437098	RLUIKRNKQVLBIN-PSASIEDQSA-N	335.143	1.929	50	40	EDGB	
O=C(CBr)Nc1cccc(C(=O)NC[C@H]2CCCO2)c1	35605277	WVTUWBFXDJJNDY-GFCCVEGCSA-N	341.205	1.929	50	40	EDGB	
Cc1nc2ccccc2n1CC(=O)NNC(=O)c1ccc(F)cc1	17592429	GZHHRRYKBKWJNB-UHFFFAOYSA-N	326.331	1.945	50	40	EDGB	
COc1cccc(OC)c1C(=O)NC(=S)NNC(=O)c1ccco1	18194269	GLDQMWXGNVHFMO-UHFFFAOYSA-N	349.368	1.246	50	40	EDGB	
CN(C)N(C(=O)CSc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1	8855593	RVIYFODROKTOJL-GFCCVEGCSA-N	346.449	1.410	50	40	EDGB	
CC(C)C(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1	32674035	NRJCCZXEJPYDEE-CQSZACIVSA-N	329.400	1.332	50	40	EDGB	
CC[C@@H](C)[C@H](NC(N)=O)C(=O)NNC(=S)Nc1ccccc1C	5689406	OOLXUBLLOMQEIX-SKDRFNHKSA-N	337.449	1.396	50	40	EDGB	
O=C(Cc1ccc(F)cc1)NNC(=O)NNC(=O)c1ccc(F)cc1	102697190	TWTSLAWMXYUIDG-UHFFFAOYSA-N	348.309	1.183	50	40	EDGB	
CCc1c(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)csc1C	101518967	LHKWKBRAKVJWPX-NUZBWSBOSA-N	348.424	1.903	50	40	EDGB	
Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1ccc(=O)[nH]c1	16043695	BICGBCUXIPLBRS-UHFFFAOYSA-N	335.747	1.177	50	40	EDGB	
CCCCn1c(N)c(N(CCC)C(=O)CCCCl)c(=O)[nH]c1=O	3277967	YTSSQRKVEJJMEK-UHFFFAOYSA-N	344.843	1.681	50	40	EDGB	
CN(c1ccc(C(=O)N/N=C/c2ccccn2)cc1)S(C)(=O)=O	409125125	CDQIRHWGJGAFHF-GZTJUZNOSA-N	332.385	1.241	50	40	EDGB	
O=C(NNC(=O)c1ccc2[nH]cnc2c1)c1ccc2c(c1)OCCO2	9467721	VNRCDJPBQXJMIR-UHFFFAOYSA-N	338.323	1.409	50	40	EDGB	
N#CC1=C(N2CCOCC2)S[C@H](c2cccc([N+](=O)[O-])c2)NC1=O	9644502	CKZCPLHHAUVVNU-CQSZACIVSA-N	346.368	1.524	50	40	EDGB	
O=C(N/N=C1/CCS(=O)(=O)c2ccc(F)cc21)c1ccc(O)cc1	34107244	BZAIHLGHLHLGKM-JXAWBTAJSA-N	348.355	1.843	50	40	EDGB	
O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1ccc(F)cc1	15936004	WXRAKZKMQYPDPE-UHFFFAOYSA-N	343.362	1.293	50	40	EDGB	
C[C@H]1C[C@@H]1C(=O)NCCC(=O)NNc1c(F)c(F)nc(F)c1F	31491308	FFNXQPWPDCBDSB-WDSKDSINSA-N	334.273	1.243	50	40	EDGB	
CCN(CC(C)C)c1nc(CC(=O)NNC(=O)C(C)(C)O)cs1	1567685690	DTCHRPIKECTBQA-UHFFFAOYSA-N	342.465	1.086	50	40	EDGB	
Cc1scc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)c1C	5697398	XAQVXSCIVYABAS-URBCHYCLSA-N	336.413	1.873	50	40	EDGB	
N#Cc1ccc(OCC(=O)NNC(=S)NC2CCCCC2)cc1	3370504	GUGNZUNZYBNPEO-UHFFFAOYSA-N	332.429	1.765	50	40	EDGB	
CCCCNC(=O)NNC(=O)COc1cccc(Br)c1	3342890	RTHROIBBDGYQIZ-UHFFFAOYSA-N	344.209	1.958	50	40	EDGB	
O=C(CN1CC(=O)NC1=O)NN=C(c1ccccc1)c1ccccc1	78599595	XZBGTONUYCKDKZ-UHFFFAOYSA-N	336.351	1.107	50	40	EDGB	
N#C/C(=C\c1cc(Cl)ccc1O)c1nn(CCO)c(N)c1C#N	408721125	KZRFDVUOTKSYHP-BJMVGYQFSA-N	329.747	1.752	50	40	EDGB	
CC(C)CC(=O)NNS(=O)(=O)c1ccc2nc(O)sc2c1	585119648	OIEURQFEQSTRGF-UHFFFAOYSA-N	329.403	1.358	50	40	EDGB	
C/C(=N\NC(=O)CNC(=O)c1ccc2c(c1)OCO2)c1ccccc1	4587340	RUJGYYQKNWCHTD-UDWIEESQSA-N	339.351	1.686	50	40	EDGB	
CNC(=S)NNC(=O)CNc1ncc(C(F)(F)F)cc1Cl	20218710	YMXJPIVCYSPQOS-UHFFFAOYSA-N	341.746	1.291	50	40	EDGB	
COc1ccccc1N1C(=O)C[C@H](NNC(=O)c2ccccc2)C1=O	544435	KXPJVVKZPQYPNH-ZDUSSCGKSA-N	339.351	1.262	50	40	EDGB	
Cn1/c(=N\NC(=O)[C@H]2CC(=O)N(C3CC3)C2)sc2ccccc21	103717488	ZPQALDXCIHSBHJ-LWPQFTCMSA-N	330.413	1.183	50	40	EDGB	
COc1cc(OC)c(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(OC)c1	1101044	DDRRCSLMHKOISW-BWODNOAJSA-N	346.383	1.915	50	40	EDGB	
Cc1ccccc1C(=O)NNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1	52411064	RVGABMWAJGKOCM-AWEZNQCLSA-N	337.379	1.809	50	40	EDGB	
Cc1ccc(NC(=O)NNC(=O)c2ccc(C(N)=O)cc2)cc1C	17066733	IADAAKXIVCEQMY-UHFFFAOYSA-N	326.356	1.869	50	40	EDGB	
CC[N+](CC)=C1S[C@@H]2[C@H](Br)S(=O)(=O)C[C@H]2S1	254520419	FVJBSQVZXZYAQQ-GJMOJQLCSA-N	345.329	1.761	50	40	EDGB	
Cc1cc(C)c2c(c1)/C(=N/NC(=O)C[C@@H]1CCS(=O)(=O)C1)C(O)=N2	52502719	VBOLNTBAVGIHOP-NSHDSACASA-N	349.412	1.550	50	40	EDGB	
NC(=O)N/N=C/c1c(Sc2ccccn2)nc2ccccn2c1=O	194030	RNAAIQAMYKJXGI-GIJQJNRQSA-N	340.368	1.243	50	40	EDGB	
Cn1cc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c2ccccc21	8137826	TUKUSDYFZWPYIQ-UHFFFAOYSA-N	337.335	1.982	50	40	EDGB	
O=CN[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O	2008614	ZPOLNCDBPYJDSE-ZDUSSCGKSA-N	333.215	1.712	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)CCC(=O)NCc2ccccc2)cc1	6029677	OZGYXIKOCGMFLW-UHFFFAOYSA-N	339.395	1.853	50	40	EDGB	
CCCc1nnc(SCC(=O)NNC(C)=O)n1Cc1ccco1	35313891	FRXRVHZMJKQPND-UHFFFAOYSA-N	337.405	1.131	50	40	EDGB	
Cc1nn(C)c(F)c1/C=N/NC(=O)c1cc(C(F)(F)F)n(C)n1	252487436	HVVQHZFJHKFXEQ-YAXRCOADSA-N	332.261	1.384	50	40	EDGB	
Nc1nc2[nH]c(CBr)c(CBr)nc-2c(=O)n1	5411577	DCIWGFCSXRJYOL-UHFFFAOYSA-N	348.986	1.037	50	40	EDGB	
CC1(C)C[C@H](CNC(=O)CI)C(C)(C)N1O	2539308	HLJSHMOXSZTSIM-MRVPVSSYSA-N	340.205	1.806	50	40	EDGB	
CN1CCC(=NNC(=O)CN2C(=O)c3cccc4cccc2c34)CC1	105043591	VKKMCUYQBFFZAH-UHFFFAOYSA-N	336.395	1.998	50	40	EDGB	
Cc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1	12973788	FOBWAOJCGQEXJW-UHFFFAOYSA-N	334.353	1.347	50	40	EDGB	
CCCNC(=O)C/C(C)=N/NC(=O)C(=O)Nc1cc(C)ccc1OC	4188699	IVJBAYOWMSCSRR-UDWIEESQSA-N	348.403	1.351	50	40	EDGB	
COc1ccccc1C(=O)N1C[C@H](C(=O)NN)Oc2ccccc21	225330917	NUZHUNOSRHLQDU-OAHLLOKOSA-N	327.340	1.093	50	40	EDGB	
Cn1c(=O)n(C)c2cc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)ccc21	37468	HCYGKHQXSAGNCH-CZAWJFPGSA-N	340.383	1.079	50	40	EDGB	
O=C(N/N=C/c1cccc(Br)c1)C(=O)NC1CCCC1	59515564	DCZJHAXHQIIVAN-CXUHLZMHSA-N	338.205	1.958	50	40	EDGB	
O=C(NNC(=S)NC[C@H]1CCCO1)c1cc(-c2ccccc2)n[nH]1	15430681	VBKGKYQBFJZFAA-GFCCVEGCSA-N	345.428	1.365	50	40	EDGB	
S=P(N1CC1)(N1CC1)N1CCN=C1C(Cl)(Cl)Cl	19910480	MJFTWFZZGOVVBT-UHFFFAOYSA-N	333.612	1.926	50	40	EDGB	
COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1OC	7785437	LPPSIWNYDMIJCR-UDWIEESQSA-N	341.367	1.470	50	40	EDGB	
CN(C)c1ccc(/C=N\NC(=O)CC(=O)NCc2ccccc2)cc1	59444828	KNAQNGPRKQZGOG-STZFKDTASA-N	338.411	1.909	50	40	EDGB	
COc1cc(/C=N/NC(=O)COc2ccc(C#N)cc2)ccc1O	3288222	ZXPOBJMLYYVINT-VXLYETTFSA-N	325.324	1.802	50	40	EDGB	
O=C(O)c1ccc(/C=N/NC(=O)c2n[nH]c(=O)c3ccccc23)cc1	3445357	QFWJFUZESYJZSQ-GIJQJNRQSA-N	336.307	1.385	50	40	EDGB	
O=C(NCCc1ccccc1)C(=O)N/N=C/c1cc(Cl)ccc1O	409163667	VXYSQEQVVKJLNF-RGVLZGJSSA-N	345.786	1.855	50	40	EDGB	
O=C(NNC(=O)c1cc(-c2ccco2)nc2ccccc12)c1cn[nH]n1	64733607	REQXWWALUYIJGD-UHFFFAOYSA-N	348.322	1.688	50	40	EDGB	
O=C(CCN1CCCC1)NNS(=O)(=O)c1ccc2ccccc2c1	18191657	XDTCWNZHIVEPHE-UHFFFAOYSA-N	347.440	1.635	50	40	EDGB	
O=C(CCl)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O	6507973	IKNRTONYGCGHRA-UXBLZVDNSA-N	325.777	1.473	50	40	EDGB	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc2c(c1)OCO2	4680861	QIGHOONMTWBOAF-JTQLQIEISA-N	346.314	1.783	50	40	EDGB	
CCOC(=O)/C(C#N)=C/Nc1c(C)n(C)n(-c2ccccc2)c1=O	230664	JHNNLYMRRIPTRR-ACCUITESSA-N	326.356	1.867	50	40	EDGB	
O=C(COC(=O)c1ccccc1)NNC(=O)c1ccc(Cl)cc1	3398459	GOIUKKICVABCHB-UHFFFAOYSA-N	332.743	1.958	50	40	EDGB	
O=C(C[n+]1ccccc1)N/N=C/c1cc(Br)ccc1O	1818553	KDPOAAJKARCTRK-UHFFFAOYSA-O	335.181	1.593	50	40	EDGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(C(=O)N(C)C)cc1	5137447	ZSSILFSCQGXRNO-GDNBJRDFSA-N	338.367	1.523	50	40	EDGB	
CS(=O)(=O)N(Cc1ccccc1)c1ccc(CC(=O)NN)cc1	226106332	QIIFQULFGMLKLP-UHFFFAOYSA-N	333.413	1.185	50	40	EDGB	
C=CCOc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1OC	19797827	CVEZBXJCMTWFQQ-LDADJPATSA-N	333.388	1.042	50	40	EDGB	
COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)cc1	4838865	SVMIOCTWTAIYBM-UHFFFAOYSA-N	327.340	1.403	50	40	EDGB	
Cn1cc(C(=O)NNC(=O)c2cn3ccccc3n2)c2ccccc21	9466675	GYHBRIAYLCOHFO-UHFFFAOYSA-N	333.351	1.901	50	40	EDGB	
O=C(CCl)N(c1ccc2ncccc2c1)[C@@H]1CCS(=O)(=O)C1	217378072	HGROYAXIXNGMSY-CYBMUJFWSA-N	338.816	1.994	50	40	EDGB	
COc1ccc(/C=N\NC(=O)[C@H]2COc3ccccc3O2)cc1O	31885672	QUWGRTJBMWADOI-BZMUBCNJSA-N	328.324	1.691	50	40	EDGB	
CCOc1cccc(C(=O)NNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)c1	102201905	NZXPDTQRUPAFTC-AZHAFVHUSA-N	346.383	1.593	50	40	EDGB	
O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cccs1	13622976	YVHHMVYUISJGQF-ZDUSSCGKSA-N	343.408	1.558	50	40	EDGB	
O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)C1CC1	40498148	DCUZJTVCXRZMGL-CQSZACIVSA-N	327.384	1.086	50	40	EDGB	
C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC=C(C#N)CC1	95452988	IUXHVPUJFLCSIB-NSHDSACASA-N	337.376	1.175	50	40	EDGB	
Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)o1	12998261	CLUTTYTYLVBVML-UHFFFAOYSA-N	347.283	1.114	50	40	EDGB	
C=CCn1c(=O)c2c(nc3n(CCCl)c(C)c(C)n23)n(C)c1=O	8725086	GVPMKYFNLQKJQM-UHFFFAOYSA-N	335.795	1.191	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)s1	6846689	FMGGDYRUMRBWMI-URBCHYCLSA-N	334.397	1.731	50	40	EDGB	
O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1	7881807	MXGKGXPFMHBWED-MRXNPFEDSA-N	337.379	1.496	50	40	EDGB	
CCN1CC=C2[C@H](C1)[C@@H](c1ccncc1)C(C#N)=C(N)C2(C#N)C#N	483828	HJQSNRQIRXLQIX-RDJZCZTQSA-N	330.395	1.827	50	40	EDGB	
Cn1ccnc1Sc1ccc(/C=C(\C#N)C(N)=O)cc1[N+](=O)[O-]	5269155	SPYZTHBXKUHAHI-UXBLZVDNSA-N	329.341	1.872	50	40	EDGB	
C#CCN1C(=O)/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21	4702460	DHFQGHNJEUIUSZ-KNTRCKAVSA-N	348.318	1.709	50	40	EDGB	
COc1cc(OC)c(/C=N/NC(=O)C[n+]2ccccc2)c(OC)c1	2705254	HGBFBRZCCOFPPF-WOJGMQOQSA-O	330.364	1.150	50	40	EDGB	
COC(=O)CSC1=C(C#N)[C@H](c2ccc3c(c2)OCO3)CC(=O)N1	121855	GOHSLRHFFHURLM-JTQLQIEISA-N	346.364	1.660	50	40	EDGB	
COc1ccc2c(c1)/C(=N\NC(=O)c1ccccc1OC)C(=O)N2	59472603	PIZSHDGFPQBSOG-UHFFFAOYSA-N	325.324	1.790	50	40	EDGB	
COc1ccnc(NNC(=O)c2oc(Br)cc2C)n1	48572705	VGCBWKVDCLPTLH-UHFFFAOYSA-N	327.138	1.906	50	40	EDGB	
Cc1cc(S(=O)(=O)NNC(=O)C(C)C)ccc1Br	9503544	WDRFZWSVEHELID-UHFFFAOYSA-N	335.223	1.723	50	40	EDGB	
CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Cl)c1O	39933178	YHNBWRNWJRHZBJ-MFOYZWKCSA-N	341.795	1.227	50	40	EDGB	
NNC(=O)c1cnc(Cc2ccc(Cl)cc2)nc1N1CCCC1	223460206	NTBGEBSUZBTSID-UHFFFAOYSA-N	331.807	1.925	50	40	EDGB	
Cc1ccc([C@H](O)[C@@H](I)S(C)(=O)=O)cc1	96519186	UKXIQKPDVSGOHD-UWVGGRQHSA-N	340.182	1.834	50	40	EDGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2nccs2)c1OC	41107777	PDPBWZQURFBEKZ-LZYBPNLTSA-N	334.357	1.249	50	40	EDGB	
CCOc1ccc(/C=N/NC(=O)CC(=O)NCc2cccnc2)cc1	59461578	RKKGRKQNNRKEIQ-FYJGNVAPSA-N	340.383	1.637	50	40	EDGB	
O=C(NNC(=O)c1cncn1-c1ccc(F)cc1)c1cccc(O)c1	9548785	XUGCNVIKOXMFRJ-UHFFFAOYSA-N	340.314	1.792	50	40	EDGB	
CC1(C)[C@]2(C)CC[C@]1(C(=O)N1CCNCC1)[C@@H](Br)C2=O	108624929	MMPGHLULZXDWJQ-COLVAYQJSA-N	343.265	1.577	50	40	EDGB	
O=C(CBr)Nc1cccc(C(=O)NC[C@@H]2CCCO2)c1	35605274	WVTUWBFXDJJNDY-LBPRGKRZSA-N	341.205	1.929	50	40	EDGB	
N#C/C(=C/c1ccccc1)C(=O)OCn1nnc2ccccc2c1=O	3240445	QDEWKRHJNSCRKV-UVTDQMKNSA-N	332.319	1.899	50	40	EDGB	
COc1cc(/C=N/NC(=O)CC2(C)OCCO2)cc(OC)c1OC	408884657	USFQVTADGPUHBV-LICLKQGHSA-N	338.360	1.316	50	40	EDGB	
CSc1ccc(/C=N/NC(=O)Cn2c([N+](=O)[O-])cnc2C)cc1	408973679	OFMZVKOWSGSIMO-FRKPEAEDSA-N	333.373	1.972	50	40	EDGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(F)cc2)cc1OC	408721569	UECRWYGASHOBPX-VXLYETTFSA-N	345.330	1.932	50	40	EDGB	
COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccccc2O)cc1	223158663	BZYDFYZUGKETHX-ZDLGFXPLSA-N	341.323	1.268	50	40	EDGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2N)cc1	573175	RJNVXXVDGAMDRE-RGVLZGJSSA-N	341.367	1.975	50	40	EDGB	
CNC(=O)/C(C#N)=C1\S[C@H](CC(=O)O)C(=O)N1c1ccccc1	4539967	FPNMPBSGTZJLIK-MKVLZVNKSA-N	331.353	1.091	50	40	EDGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(O)cc1O	5394925	PDNPLPIJWISOCX-CNHKJKLMSA-N	329.312	1.389	50	40	EDGB	
CCOC(=O)NNC(=O)[C@@H]1CS[C@H](c2ccccc2)N1C(C)=O	1643137	PVAXZHBYAYNHQC-GXTWGEPZSA-N	337.401	1.426	50	40	EDGB	
O=C(NNC(=O)[C@@H]1CCCC[C@H]1C(=O)O)c1ccccc1[N+](=O)[O-]	6336163	PIYFLKYHFBOGIR-NXEZZACHSA-N	335.316	1.247	50	40	EDGB	
CC1=CC(=O)[C@@H]2N=C(C(=O)N/N=C/c3ccccc3O)CSC2=N1	101380547	KXYGGIFSZHMZRK-NOICUEDQSA-N	342.380	1.284	50	40	EDGB	
O=C(NNC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O)c1ccc(Cl)cc1	101595039	ZHLDZBFPGAIYNY-DJIHRAIXSA-N	336.775	1.848	50	40	EDGB	
COCCC(=O)N/N=C(\C)CC(=O)Nc1ccccc1C(=O)OC	100375067	CSFNUXSDLTUULB-WOJGMQOQSA-N	335.360	1.330	50	40	EDGB	
CSc1ccc(/C=N/NC(=O)C(=O)NCc2ccncc2)cc1	59444331	NOPYCGHFNHPVIJ-YBFXNURJSA-N	328.397	1.570	50	40	EDGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)N2CCCCC2)cc1OC	3084624	HVFOOJUSJJOQBG-CPNJWEJPSA-N	345.399	1.723	50	40	EDGB	
C/C(CC(=O)Nc1ccc(C)cc1)=N\NC(=O)C(=O)NC(C)(C)C	5363161	GWNWWAQVRXYQSW-UDWIEESQSA-N	332.404	1.730	50	40	EDGB	
COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c(OC)c1	4594774	BUWUOQOXBZROPX-CQSZACIVSA-N	342.355	1.962	50	40	EDGB	
C/C(CC(=O)Nc1ccccc1C(N)=O)=N\NC(=O)c1ccncc1	101159707	VRVAWZWWADFSBP-SRZZPIQSSA-N	339.355	1.315	50	40	EDGB	
CCN(CC)c1ccc(/C=N\NC(=O)Cc2nnc(N)s2)cc1	100542718	VYILMRFXXFTEDN-YVLHZVERSA-N	332.433	1.659	50	40	EDGB	
CCCC12CN(C(=O)CCl)CC(C)(CN(C(=O)CCl)C1)C2=O	554064	NHMFERDHUVQHGM-UHFFFAOYSA-N	349.258	1.510	50	40	EDGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc([N+](=O)[O-])cc1	59463265	GMWYIHTYQGBKDY-QGMBQPNBSA-N	342.311	1.886	50	40	EDGB	
CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1ccc(O)cc1O	57509115	PXACBFHWFIEGPU-LBPRGKRZSA-N	326.736	1.508	50	40	EDGB	
CCCCCC(=O)NNC(=S)NC(=O)c1cccc([N+](=O)[O-])c1	2064469	AUPFBQJSKRQYEK-UHFFFAOYSA-N	338.389	1.811	50	40	EDGB	
CN(C)c1cccc(C(=O)N/N=C/c2ccc(N3CCOCC3)o2)c1	409019573	JURNPOUODAXNRV-CPNJWEJPSA-N	342.399	1.946	50	40	EDGB	
COc1cc(/C=N/NC(=O)CC#N)cc(Br)c1OC	28217763	GSHOBPSYXPOYOO-VIZOYTHASA-N	326.150	1.830	50	40	EDGB	
O=C(N/N=C/c1ccncc1)C(=O)Nc1ccccc1Br	4698933	XBMTXLFPKKQNHP-RQZCQDPDSA-N	347.172	1.933	50	40	EDGB	
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NNC(=O)C1CCCCC1	15714186	MJMUDTIBALLJNJ-UHFFFAOYSA-N	344.415	1.524	50	40	EDGB	
O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccco1	408615860	TXENZRPNBAWEJN-SNVBAGLBSA-N	331.303	1.233	50	40	EDGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(N)=O)cc1	409008135	UKWHRXOOCLLRNM-VXLYETTFSA-N	342.355	1.715	50	40	EDGB	
CS(=O)(=O)[C@H](I)[C@H](O)c1ccc(N)cc1	96519168	OFYPPZLAJPIEMA-BDAKNGLRSA-N	341.170	1.108	50	40	EDGB	
CCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccccc2)s1	191541	HFNKDXPSWBVQRN-MHWRWJLKSA-N	331.401	1.970	50	40	EDGB	
NNC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O	5243625	IYWSPWDPDYLBIC-CHHVJCJISA-N	328.299	1.811	50	40	EDGB	
COc1ccc2oc(=O)c(/C(N)=N/NC(=O)c3ccccc3)cc2c1	5171534	OIUUYAFUASGLIH-UHFFFAOYSA-N	337.335	1.852	50	40	EDGB	
Nc1nnc(CC(=O)N/N=C/c2ccc(Br)cc2)s1	58594	AIANLQKCZUVQBL-MKMNVTDBSA-N	340.206	1.576	50	40	EDGB	
CC(=O)N1CCC2(CC1)C(C#N)=C(N)OC1=C2C(=O)CC(C)(C)C1	499920	JYYIWVUQYPUJEC-UHFFFAOYSA-N	329.400	1.982	50	40	EDGB	
CCC[C@H](CCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O	1823002	DEXHTWSHXVJWJG-SNVBAGLBSA-N	337.332	1.637	50	40	EDGB	
C[C@H](NS(=O)(=O)c1ccc(OCC(=O)NN)cc1)c1ccccc1	409127509	NFNLOZGZRDJIER-LBPRGKRZSA-N	349.412	1.095	50	40	EDGB	
C=CCOc1ccc(C(=O)NNC(=O)c2cccnc2)cc1OC	27635436	LNOHSQZTJLWTSN-UHFFFAOYSA-N	327.340	1.730	50	40	EDGB	
CCCCN1C(=O)N=C(O)/C(=C/NNC(=O)c2ccccc2)C1=O	38178402	XEFKVUKLNPNQGQ-BENRWUELSA-N	330.344	1.524	50	40	EDGB	
CC(=N\NC(=O)c1ccncc1)/C(=N/O)C(=O)Nc1ccccc1	83254513	KEYAYSLXELMXGO-VFGRHXITSA-N	325.328	1.656	50	40	EDGB	
CS(=O)(=O)[C@H](I)[C@H](O)c1ccc(F)cc1	96519188	VCPWPOZXNDEZEM-BDAKNGLRSA-N	344.145	1.665	50	40	EDGB	
Cc1cc(C)n2nc(C(=O)N/N=C/c3ccc4c(c3)OCO4)nc2n1	131890	GFMDAPAMLJUVMT-REZTVBANSA-N	338.327	1.234	50	40	EDGB	
CC(C)(CCl)C(=O)NCc1nnnn1-c1ccc(F)c(F)c1	10593990	VUDGLEKWPHLTCO-UHFFFAOYSA-N	329.738	1.822	50	40	EDGB	
O=C(NN[C@H]1CC(=O)N(c2ccccc2Cl)C1=O)c1ccncc1	100994178	HPQOZOACTCGOKJ-LBPRGKRZSA-N	344.758	1.302	50	40	EDGB	
CCNC(=S)NNC(=O)c1cccc(I)c1	6447331	IMPKJOKHAWTMIQ-UHFFFAOYSA-N	349.197	1.420	50	40	EDGB	
Cc1cc(C(=O)NNC(=O)[C@H]2CC=CC[C@H]2C(=O)O)ccc1[N+](=O)[O-]	2784167	PRNDCMQWJSWHLQ-NWDGAFQWSA-N	347.327	1.331	50	40	EDGB	
O=C(NNC(=O)c1cc2c(s1)CCCCC2)c1cc[n+]([O-])cc1	16498629	BOQMXZXUVDIMML-UHFFFAOYSA-N	331.397	1.725	50	40	EDGB	
CC1=C(C)C[C@@H](C(=O)NNC(=O)c2cccc(O)c2)[C@H](C(=O)O)C1	5465427	KLCDWFXUOXVPRF-ZIAGYGMSSA-N	332.356	1.600	50	40	EDGB	
COc1cccc([C@@H]2C(C#N)=C(N)Oc3nc[nH]c(=O)c32)c1OC	15107690	LYQAABNKBCRUJU-LLVKDONJSA-N	326.312	1.005	50	40	EDGB	
COc1ccc(/C=N/NC(=O)CSc2ncccn2)cc1OC	408783459	LOIIEVCVBMETFS-GIJQJNRQSA-N	332.385	1.736	50	40	EDGB	
CN(C)c1ccc(/C=C(/C#N)C(=O)NCCN2CCOCC2)cc1	33310891	HXWVNGLOIDPRDM-SSZFMOIBSA-N	328.416	1.108	50	40	EDGB	
CCOC(=O)Cc1[nH]nc2c1[C@@H](c1ccsc1)C(C#N)=C(N)O2	13555974	GTBFSKHLGOJJIX-LBPRGKRZSA-N	330.369	1.795	50	40	EDGB	
NC(=O)N/N=C1/C(=O)N(CC(=O)Nc2ccccc2)c2ccccc21	4611041	IVVAPLIBLXVPLS-HMMYKYKNSA-N	337.339	1.044	50	40	EDGB	
Cc1cc(C)nc(NNC(=O)CCNC(=O)c2ccccc2C)n1	22235272	KOUKOFKTOCYWAK-UHFFFAOYSA-N	327.388	1.665	50	40	EDGB	
C/C(=C(C#N)\C(N)=C/C(=C(C#N)C#N)c1nonc1C)c1nonc1C	102411589	KCGPZNSLOYMRQV-WVPIJKBQSA-N	348.326	1.710	50	40	EDGB	
O=C1O[C@@H]2[C@H](Br)[C@H]3C[C@@H]2[C@H]1[C@H]3C(=O)NCc1ccco1	8475521	PSQXIPJKVJKDLH-ROUNHJLISA-N	340.173	1.467	50	40	EDGB	
CCn1nccc1/C(C)=N\NC(=O)c1n[nH]c([N+](=O)[O-])c1Cl	6412723	KEWPYIGDJFJBCT-NSIKDUERSA-N	325.716	1.342	50	40	EDGB	
COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccccn1	59433839	QPRGLKISPYYWSF-GIJQJNRQSA-N	332.747	1.832	50	40	EDGB	
COc1ccccc1[C@H]1C(C#N)=C(SCC(N)=O)NC(=O)[C@H]1C#N	2186133	AZEMTNJQXSOTML-IINYFYTJSA-N	342.380	1.002	50	40	EDGB	
O=C(NCc1ccccc1)C(=O)N/N=C/c1ccc(O)c(Cl)c1	409161492	XZWNJBYMIUFTHA-VXLYETTFSA-N	331.759	1.812	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)c2cn(-c3cccc(C)n3)cn2)cc1	1398869	QEOWIBCHCYBRDO-UHFFFAOYSA-N	335.367	1.959	50	40	EDGB	
O=C(C[C@H]1C=CCC1)NNC(=O)c1nn(-c2ccccc2)cc1O	12568104	GSTBOTQJJOWXLF-LBPRGKRZSA-N	326.356	1.695	50	40	EDGB	
COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(C#N)cc2)c1	3556758	GEHIKLAAHMONMK-UHFFFAOYSA-N	325.324	1.650	50	40	EDGB	
Cc1cc(C)cc(OCC(=O)NN[C@@H](C(N)=O)c2ccc(F)cc2)c1	66938980	KSYLUQQSVCVLOW-QGZVFWFLSA-N	345.374	1.669	50	40	EDGB	
CCCOc1ccc(/C=N/NC(=O)C(=O)N2CCCC2)cc1OCC	3043714	PQVPOHTWYMNGAL-CPNJWEJPSA-N	347.415	1.947	50	40	EDGB	
Cc1scc(C(=O)NNC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)c1C	17070979	AJXALPZZKVFHDX-QCNOEVLYSA-N	338.385	1.004	50	40	EDGB	
COC(=O)CSCC(=O)C(C#N)=C1N(C)c2ccccc2N1C	32736464	VCNIJHLDKFBMFK-UHFFFAOYSA-N	331.397	1.783	50	40	EDGB	
O=C1NC(=O)N2C[C@H](CBr)O[C@H]2[C@@H]1c1ccccc1	5395460	DFDGSUXSGLUAGM-UMNHJUIQSA-N	325.162	1.442	50	40	EDGB	
COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)cc(Cl)c1O	6326173	WWUNZFNOLLGUBQ-REZTVBANSA-N	327.768	1.277	50	40	EDGB	
CCOC(=O)[C@H](Br)CN1C(=O)c2ccccc2C1=O	335051	AQHOUPJYCGBSMJ-SNVBAGLBSA-N	326.146	1.609	50	40	EDGB	
CN(CC(=O)N/N=C/c1ccccc1F)S(=O)(=O)c1ccccc1	6544701	XDTBAKZXDHFULF-WOJGMQOQSA-N	349.387	1.597	50	40	EDGB	
N#C/C(=C\c1cccc([N+](=O)[O-])c1O)c1nn(CCO)c(N)c1C#N	105845305	RIAIKCLQTCMCAJ-UXBLZVDNSA-N	340.299	1.007	50	40	EDGB	
O=C(CSc1ccccc1C(=O)O)NNC(=O)c1cccs1	4726180	DPMCLTXIEPXXCS-UHFFFAOYSA-N	336.394	2.000	50	40	EDGB	
O=C(N/N=C/c1cccnc1)c1c(O)n2c3c(cccc3c1=O)CC2	5997838	CGNRXIPLUOTQHP-KEBDBYFISA-N	334.335	1.422	50	40	EDGB	
COc1cc(OC)c(OC)cc1/C=N\NC(=O)Cc1cccn1C	32576889	OJYZQFFUPQXPCN-WQRHYEAKSA-N	331.372	1.744	50	40	EDGB	
O=C(COC(=O)/C=C/c1ccccc1)NNC(=O)c1ccccc1F	6013115	UTMNNVADJGHHJV-ZHACJKMWSA-N	342.326	1.843	50	40	EDGB	
O=C(CCl)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O	3319032	IKNRTONYGCGHRA-POHAHGRESA-N	325.777	1.473	50	40	EDGB	
O=C1[C@H]2[C@@H]3C[C@H]4[C@H]([C@H](Br)C(=O)[C@@H]24)[C@H]3[C@H]1Br	4277022	ASRUXQHQIUKJHH-LOWZNRHCSA-N	334.007	1.793	50	40	EDGB	
CC1(C)[C@]2(C(=O)NNC(=O)COc3ccccc3)CC[C@@]1(C)C(=O)O2	4810790	JIEJAONKFLGRJT-ZWKOTPCHSA-N	346.383	1.335	50	40	EDGB	
CC1(C)CC(=O)C(=CNNC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)C1	3102218	USRCNMCQMKVRKZ-UHFFFAOYSA-N	331.328	1.671	50	40	EDGB	
COc1ccc(OCC(=O)N/N=C\c2cccc([N+](=O)[O-])c2O)cc1	409068997	UBMXHKVTLIPNOC-MFOYZWKCSA-N	345.311	1.838	50	40	EDGB	
COc1ccc(/C=N/NC(=O)CC(=O)NCC(C)C)cc1[N+](=O)[O-]	15231204	UAGKIWGOWOOMCT-RQZCQDPDSA-N	336.348	1.216	50	40	EDGB	
Cc1c(C(=O)N2CCOCC2)sc(NC(=O)CCl)c1C#N	350673	QPCBVLYEOLANFM-UHFFFAOYSA-N	327.793	1.578	50	40	EDGB	
CN1C(=O)NC(=O)/C(=C\c2ccc3c(c2)CCN3CCCCl)C1=O	2605340	FKCFFSSIGYHTFO-JLHYYAGUSA-N	347.802	1.770	50	40	EDGB	
O=C(O)CCCC(=O)NNC(=O)COc1cccc2ccccc12	12137201	FCCVUIPTHGHERE-UHFFFAOYSA-N	330.340	1.621	50	40	EDGB	
COc1ccc(-c2nc(C)cc(N3CCC[C@@H](C(=O)NN)C3)n2)cc1	223466432	YMRBFBSHGJTHJB-CQSZACIVSA-N	341.415	1.667	50	40	EDGB	
CCS(=O)(=O)[C@H](Br)[C@@H](O)c1ccc([N+](=O)[O-])cc1	96519086	MRLHWFYXCMIWQR-UWVGGRQHSA-N	338.179	1.784	50	40	EDGB	
C[C@@]1(C(=O)Nc2ccc(N3CCNCC3)cn2)C[C@@H]1Br	1616038298	FJVPTOUQRVJMJW-SMDDNHRTSA-N	339.237	1.603	50	40	EDGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CO)cc2)cc1	1091025	XVLOUYHTJJGZEB-VXLYETTFSA-N	341.367	1.455	50	40	EDGB	
CCc1[nH]c(C(=O)NNc2nc(C)cc(C)n2)c(C)c1C(=O)OC	22234779	HSKROAPERGFNQJ-UHFFFAOYSA-N	331.376	1.836	50	40	EDGB	
O=C(N/N=C/C(Cl)=C\c1ccccc1)N[C@H]1CCS(=O)(=O)C1	70020152	HMSRASVEJHALST-HTHWXWQOSA-N	341.820	1.738	50	40	EDGB	
Cc1cc2c(c(=O)o1)[C@@]1(C(=O)Nc3c(C)cccc31)C(C#N)=C(N)O2	2204834	XXIQKBCPHJETOK-SFHVURJKSA-N	335.319	1.581	50	40	EDGB	
COc1cccc(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)c1OC	11297776	UGZITMPJROOQES-DHZHZOJOSA-N	326.360	1.601	50	40	EDGB	
CC(C)Oc1ccc(C(=O)NNC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1	13254439	QXGFXIPHXXKVDR-LSDHHAIUSA-N	346.383	1.902	50	40	EDGB	
CCCC(=O)NNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1	14238570	ROOFTTPEGVIHPR-UHFFFAOYSA-N	341.433	1.278	50	40	EDGB	
CN(C)c1cccc(C(=O)NNC(=O)c2cccc(N(C)C)c2)c1	14622346	NRVRYNLIIAYNDQ-UHFFFAOYSA-N	326.400	1.893	50	40	EDGB	
CCn1c(C)nc2cc(C(=O)NNC(=S)NCCOC)ccc21	7522633	XSJSICHRJKZIGT-UHFFFAOYSA-N	335.433	1.120	50	40	EDGB	
O=C(NNC(=O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O)c1ccccc1Cl	23382761	QRMZMFMPFWCDLO-GAQJKIJGSA-N	334.759	1.624	50	40	EDGB	
COc1cc(C=NNC(=O)c2sc(N)c(C#N)c2C)ccc1O	252592737	BFZDQVWWZRLQOI-UHFFFAOYSA-N	330.369	1.989	50	40	EDGB	
O=C(Cc1cn2ccccc2n1)NNC(=O)c1c[nH]c2ccccc12	69487079	ILVAPDIFISCCET-UHFFFAOYSA-N	333.351	1.819	50	40	EDGB	
C/C(Cn1nnc2ccccc21)=N\NC(=O)[C@](C)(O)c1ccccc1	12362259	KNXIYALIIJZWMB-UIMCMNAESA-N	337.383	1.831	50	40	EDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1O)c1ccccc1	19953889	IFXZXHFIUGQEBS-GZTJUZNOSA-N	347.396	1.309	50	40	EDGB	
BrCC12OCCOC1(CBr)OCCO2	1718187	YBWXLTBQSLTXPY-UHFFFAOYSA-N	331.988	1.262	50	40	EDGB	
O=C1O[C@H]2[C@@H]3C[C@@H]([C@H]2Br)[C@H](C(=O)Nc2nccs2)[C@@H]13	102605279	MZOXLTILEBFDPQ-XIBIAKPJSA-N	343.202	1.653	50	40	EDGB	
Cc1cc2c(c(=O)o1)[C@@]1(C(=O)N(C)c3ccccc31)C(C#N)=C(N)O2	2430613	DJTRUVVBTYLDDE-SFHVURJKSA-N	335.319	1.297	50	40	EDGB	
COC(=O)[C@@H](CNC(=O)CBr)Cc1ccc(F)cc1	95097984	ZAPCHBYKLKNDRG-SNVBAGLBSA-N	332.169	1.669	50	40	EDGB	
CCS(=O)(=O)N1CCC(C(=O)N/N=C/c2ccc(F)s2)CC1	252490239	KMWOYDBFKPVSIN-OQLLNIDSSA-N	347.437	1.399	50	40	EDGB	
Cc1ccccc1N(CC(=O)N/N=C/c1ccco1)S(C)(=O)=O	19954800	IFAQJAIJXXISHN-MHWRWJLKSA-N	335.385	1.504	50	40	EDGB	
C/C(=N\NC(=O)c1ccc(C)cc1)c1nnn(-c2nonc2N)c1C	1434543	OWBFLVYLLQPBBE-RQZCQDPDSA-N	340.347	1.003	50	40	EDGB	
COCc1n[nH]c2c1[C@H](c1cc(OC)cc(OC)c1)C(C#N)=C(N)O2	377176	KJFYDVGCUVVVNS-CQSZACIVSA-N	342.355	1.791	50	40	EDGB	
O=C(CCN1CCN(c2ccccc2)CC1)NN=Cc1cccnc1	2675165	PAYCDBCAFMXABI-UHFFFAOYSA-N	337.427	1.744	50	40	EDGB	
COc1cc(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)cc2c1OCO2	11298248	ARKGMJPGDXOQLK-ONNFQVAWSA-N	340.343	1.321	50	40	EDGB	
CC(C)(C)CC(=O)NNS(=O)(=O)c1ccc2nc(O)sc2c1	585119329	CEYLWBFBAPCWSH-UHFFFAOYSA-N	343.430	1.748	50	40	EDGB	
CCOc1ccc(C(=O)CCC(=O)NNC(=O)c2ccncc2)cc1	12920977	IEZZBNNZHZLWDB-UHFFFAOYSA-N	341.367	1.904	50	40	EDGB	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(C(=O)OC)cc1	98091	JTMAAMLPGIAXBA-AWEZNQCLSA-N	328.324	1.728	50	40	EDGB	
O=C(CBr)O[C@H]1CCC[C@H]1OC(=O)CBr	6761011	WKEITRUAGBIINU-KNVOCYPGSA-N	343.999	1.784	50	40	EDGB	
O=C(NN[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O)c1ccccc1	100097091	LOUBKYOTQCDGRV-AWEZNQCLSA-N	327.315	1.392	50	40	EDGB	
O=C(CNC(=O)c1ccco1)N/N=C/c1c[nH]nc1-c1ccccc1	3901811	CSCDLXFRHRTOQU-DJKKODMXSA-N	337.339	1.550	50	40	EDGB	
O=C(CCl)N(c1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1	217382497	OFUXFZWGXNXCCW-JTQLQIEISA-N	331.777	1.174	50	40	EDGB	
CCOc1cccc(/C=N\NC(=O)[C@H](N)Cc2ccc(O)cc2)c1O	35958411	WCIVWAFEQRECEZ-UWOKGBPVSA-N	343.383	1.517	50	40	EDGB	
CC(=O)Nc1ccc(N(C(=O)CCl)[C@@H]2C=CS(=O)(=O)C2)cc1	40177684	NJWYKTHAWXFBHK-CYBMUJFWSA-N	342.804	1.528	50	40	EDGB	
CN(N=O)C1=N[C@@](C)(CCl)[P@](=O)(NNc2ncccn2)O1	5758737	VSWXYLOYWRETPR-AOUSDQRYSA-N	333.676	1.541	50	40	EDGB	
COc1cc(/C=N/NC(=O)c2ccc(C)nc2)cc([N+](=O)[O-])c1O	35973946	QABCVUOCQIIKJS-REZTVBANSA-N	330.300	1.776	50	40	EDGB	
COc1ccc(NCC(=O)NNC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1	102355202	OZGXRHIONHAHMS-SLEUVZQESA-N	348.472	1.791	50	40	EDGB	
O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1	101310975	ZKYCMLQDQOHVIC-PPFXDFETSA-N	344.845	1.527	50	40	EDGB	
COC(=O)CC1=C(C(=O)OC)[C@H](c2ccccc2)C(C#N)=C(N)O1	1384622	QBESRQPHTPYYST-CQSZACIVSA-N	328.324	1.484	50	40	EDGB	
COc1ccccc1C(=O)NNC(=O)[C@H]1CN(C)C[C@H]1C(F)(F)F	1616037538	MHCHDLNQERDEBN-WDEREUQCSA-N	345.321	1.196	50	40	EDGB	
N#CCOc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1	8082270	CMSBGINLTDLFAD-PBGVMVHZSA-N	337.335	1.879	50	40	EDGB	
COC(=O)c1cc(/C=C/C(=O)NNC(=S)NC(C)C)oc1C	12610854	HINKJKNHCDEFCL-AATRIKPKSA-N	325.390	1.292	50	40	EDGB	
COc1ccc(/C=N/NC(=O)C(=O)NC2CCCCC2)cc1[N+](=O)[O-]	6258832	YZWSQEHTDXLACB-LICLKQGHSA-N	348.359	1.502	50	40	EDGB	
O=C(NCCc1ccccc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1	3062189	GWYZSHKOXCWXIS-XDHOZWIPSA-N	340.339	1.404	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccccc1	13042069	VBNRXZMPDGDVQK-UHFFFAOYSA-N	348.380	1.471	50	40	EDGB	
COc1ccc(/C=N/NC(=O)C(=O)NC2CCCCCC2)c(OC)c1	409006495	OFWBPVFVEFIKDH-XDHOZWIPSA-N	347.415	1.993	50	40	EDGB	
CC(C)(C)NC(=O)C(=O)NNS(=O)(=O)c1ccc2ccccc2c1	5284035	SLZPZAXYBVPXOI-UHFFFAOYSA-N	349.412	1.064	50	40	EDGB	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)CNc1ccccc1	8710783	AQHRNDBHCNPFCU-CYBMUJFWSA-N	338.367	1.585	50	40	EDGB	
CS(=O)(=O)N(CC(=O)N/N=C\c1ccccn1)C1CCCCC1	33401294	YHLVDMPDRXEFSB-BOPFTXTBSA-N	338.433	1.126	50	40	EDGB	
CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N\Nc1c(C)cccc1C	18178674	APSOUMBLZJEMQV-HKWRFOASSA-N	326.356	1.273	50	40	EDGB	
O=C(CCl)N(c1ccccc1Cl)[C@H]1CS(=O)(=O)C[C@H]1O	217384878	LTGIRBFKKSFMKE-WDEREUQCSA-N	338.212	1.070	50	40	EDGB	
CC(C)CC(=O)NNS(=O)(=O)c1ccc2onc(Cl)c2c1	585086396	RKCOLUVPYRVWEY-UHFFFAOYSA-N	331.781	1.837	50	40	EDGB	
COC(=O)/C(=N\NC(=O)c1ccccc1O)[C@@H](C#N)c1ccccc1	5722390	IAKGZCIZYVUMEZ-IXPAQYDLSA-N	337.335	1.958	50	40	EDGB	
C=CCN1C(=O)/C(=C/C(=O)OC)S/C1=N/NC(=O)c1ccccc1	15979729	NQNZJAWNVOSNGV-QGRAFYFBSA-N	345.380	1.506	50	40	EDGB	
Cc1cccc(OCC(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)c1	357362	ARKJUCMLHXMJEY-KGLIPLIRSA-N	334.372	1.412	50	40	EDGB	
O=C(N/N=C/c1cc([N+](=O)[O-])c(O)cc1O)c1cccc([N+](=O)[O-])c1	59503484	RZUZTESDCHFMGW-VIZOYTHASA-N	346.255	1.678	50	40	EDGB	
COc1ccc(CNC(=S)NNC(=O)c2cccc(O)c2)cc1	8392093	UOFUAOLNLDQQJH-UHFFFAOYSA-N	331.397	1.710	50	40	EDGB	
COc1ccccc1/C=N/NC(=O)C(=O)N1CCc2ccccc2C1	408720434	ORTGOEYMBMPWEF-UDWIEESQSA-N	337.379	1.730	50	40	EDGB	
CCn1nccc1/C(C)=N\NC(=O)c1cc(C)nc2c1c(C)nn2C	17071105	NPLIHYMMECURBH-JAIQZWGSSA-N	339.403	1.956	50	40	EDGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(F)cc2)cc1	5513722	JXQRNRMDHHLYQA-RGVLZGJSSA-N	329.331	1.601	50	40	EDGB	
CCc1sc(C(=O)NNC(=O)CN[C@H](C)Cn2cccn2)cc1C	69776670	KNTFBNXRFPKRLD-GFCCVEGCSA-N	349.460	1.255	50	40	EDGB	
COc1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccco1	2096259	AFGUBGJGDLCTHC-UHFFFAOYSA-N	349.368	1.003	50	40	EDGB	
O=C(NN[C@H]1CC(=O)N(Cc2ccccc2)C1=O)c1ccc(F)cc1	3375184	PDNVRTCAPDBXSS-HNNXBMFYSA-N	341.342	1.388	50	40	EDGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)c(OC)c1	18324778	FCWGASCWNLYXNZ-HNNXBMFYSA-N	339.351	1.919	50	40	EDGB	
Cc1cc(C)n(CC(=O)NNS(=O)(=O)c2ccc(C)c(C)c2)n1	7386818	QOBXTORZMJBQQY-UHFFFAOYSA-N	336.417	1.126	50	40	EDGB	
CC1=C(C#N)[C@@](NC(=O)CCc2ccccc2)(C(F)(F)F)C(=O)N1	4653806	XPYHEDFATANRRD-HNNXBMFYSA-N	337.301	1.964	50	40	EDGB	
CC(=O)N[C@H](CC(=O)OCC(=O)/C(C#N)=C(/C)N)c1ccccc1	103135167	QTJAZOYZUQQKLQ-QKXCFHHRSA-N	329.356	1.122	50	40	EDGB	
CNC(=O)c1ccsc1NC(=O)NNc1ncc(F)cc1F	1563265053	SOVDEQHAJLPCLK-UHFFFAOYSA-N	327.316	1.930	50	40	EDGB	
CS(=O)(=O)[C@H](I)[C@H](O)c1cccc(N)c1	96519180	NEFGSXVCXLLXRT-BDAKNGLRSA-N	341.170	1.108	50	40	EDGB	
C=CCc1cccc(/C=N/NC(=O)CCc2c(O)n[nH]c2C)c1O	55738	UUBSKFFBXVTWAT-VCHYOVAHSA-N	328.372	1.941	50	40	EDGB	
COc1ccc(C(=O)NNC(=O)Cc2ccc(OC)c(OC)c2)cc1	290017	LVMKEVFAPFTIAP-UHFFFAOYSA-N	344.367	1.716	50	40	EDGB	
CC(=O)NNC(=O)CN1CCCc2cc(OC(F)(F)F)ccc21	29923403	CARNQTLWUMRHQC-UHFFFAOYSA-N	331.294	1.505	50	40	EDGB	
COc1cc(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)cc(OC)c1	11335761	ONVRUUGBHYVIPX-VZUCSPMQSA-N	326.360	1.601	50	40	EDGB	
N#CC1=C(N)n2ncnc2N[C@H]1c1ccc(F)c(Br)c1	18199349	GZLLONZSDISJSF-JTQLQIEISA-N	335.140	1.997	50	40	EDGB	
O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-]	408599410	UKCCXNLSMSEOEG-OVCLIPMQSA-N	330.256	1.973	50	40	EDGB	
C/C(N)=C(\C#N)C(=O)COC(=O)CSc1ncnc2sccc12	104442199	GECBBUWKTLVQTQ-NTMALXAHSA-N	348.409	1.652	50	40	EDGB	
Cc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccccc2O)cc1	4906344	XJVKBLIQFJUWHM-LICLKQGHSA-N	347.396	1.129	50	40	EDGB	
CCCc1nnc(SCC(=O)NNC(=O)Cc2ccccc2)o1	7604754	FJTFEKUNWAWCDX-UHFFFAOYSA-N	334.401	1.504	50	40	EDGB	
Cc1nc2ccccn2c1C(=O)NNC(=O)NCCc1cccnc1	32803066	ARZRYSZWRTYHND-UHFFFAOYSA-N	338.371	1.224	50	40	EDGB	
COc1ccc2c(c1OC)C(=O)O[C@H]2NNC(=O)c1ccccc1	517701	PBGKFIDUHMSXSF-MRXNPFEDSA-N	328.324	1.807	50	40	EDGB	biogenic
O=C(Cc1ccc(Br)cc1)NNC(=O)c1cccnc1	27763681	AQXKHIISEDVUST-UHFFFAOYSA-N	334.173	1.848	50	40	EDGB	
COc1cccc(/C=N/NC(=O)CNC(=O)c2cccs2)c1O	2282862	GUGRJRXPFDZVJT-CAOOACKPSA-N	333.369	1.342	50	40	EDGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(N2CCOCC2)o1	409249151	MSTFYMALEFDAQH-UNOMPAQXSA-N	331.347	1.948	50	40	EDGB	
COc1cccc(NCC(=O)NNC(=S)NC2CCCCC2)c1	7555979	HXLKSDOBWILYSM-UHFFFAOYSA-N	336.461	1.935	50	40	EDGB	
COc1cc(/C=N/NC(=O)CCNC(=O)c2ccccc2)ccc1O	1878952	ZKTDRILTCDYJFD-UDWIEESQSA-N	341.367	1.671	50	40	EDGB	
COc1ccc2c3c1O[C@@H]1[C@@H](O)[C@H](Cl)C=C4[C@@H](C2)N(C)CC[C@]431	253505631	YINRMDCHZPUWLJ-KRSZPLJZSA-N	333.815	1.863	50	40	EDGB	biogenic,in-vitro
C[C@H](C(=O)N/N=C/c1ccc2c(c1)OCO2)n1nnc2ccccc21	124571	WXCWKXTURYLPGR-PBFYJAPKSA-N	337.339	1.871	50	40	EDGB	
Cc1cc(C)cc(C(=O)NC(=S)NNC(=O)c2ccncc2)c1	8335490	FDWRUNJPXDUYHO-UHFFFAOYSA-N	328.397	1.648	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)NNC(=O)c2ccc(F)cc2)cc1	102697185	QLXMCCKXXUSTLX-UHFFFAOYSA-N	330.319	1.423	50	40	EDGB	
NNC(=O)[C@@H]1Sc2nnc(C(F)(F)F)n2N[C@@H]1c1ccccc1	27028443	RLUQTPCZCYMWIP-HTQZYQBOSA-N	344.322	1.046	50	40	EDGB	
C/C(=N\NC(=O)CNC(=O)c1ccc2c(c1)OCO2)c1ccco1	13143182	KRGUWCOUESYEEL-VCHYOVAHSA-N	329.312	1.279	50	40	EDGB	
COCCOC(=O)c1c(NC(=O)CCl)sc(C(N)=O)c1C	3278021	YZWPVMPFVKZUJB-UHFFFAOYSA-N	334.781	1.136	50	40	EDGB	
N#Cc1ccccc1OCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O	3031261	YCMKPNFXHHOKST-GIJQJNRQSA-N	340.295	1.701	50	40	EDGB	
O=C(CCl)NCc1ccccc1S(=O)(=O)N1CCCCC1	32626885	SFFWSECVNKKCTI-UHFFFAOYSA-N	330.837	1.716	50	40	EDGB	
Cc1cccc[n+]1[C@@H]1[C@@H](c2cccnc2)C(C#N)=C(S)N[C@]1(C)O	20459119	SSLKCSZANXXVOG-LZLYRXPVSA-O	339.444	1.979	50	40	EDGB	
CC1=C(C#N)[C@@](NS(=O)(=O)c2ccccc2)(C(F)(F)F)C(=O)N1	4717995	ODRNXGDCTRPSIB-LBPRGKRZSA-N	345.302	1.193	50	40	EDGB	
CCOC(=O)C1=C(CSC#N)OC(N)=C(C#N)[C@@H]1c1cccnc1	13284807	HCNDDJZFYIFPLA-ZDUSSCGKSA-N	342.380	1.921	50	40	EDGB	
COc1ccc2c(c1OC)C(=O)O[C@H]2NNC(=O)c1ccncc1	5023603	OKIFXNSVFQJPHW-OAHLLOKOSA-N	329.312	1.202	50	40	EDGB	
COC(=O)c1ccc(/C=C(\C#N)C(=O)NCCCn2ccnc2)cc1	16732827	NOUCZHUPGSWDKZ-LFIBNONCSA-N	338.367	1.783	50	40	EDGB	
CCOCCCNC(=O)/C(C#N)=C\c1ccc(OCC(=O)O)cc1	96663249	DHEPTEJSVLOYGY-UVTDQMKNSA-N	332.356	1.600	50	40	EDGB	
COc1cccc(/C=N/NC(=O)c2ccncc2)c1O[C@H](C)C(=O)O	409229433	OYTNNEQHVCGXAU-VURRPDKYSA-N	343.339	1.706	50	40	EDGB	
N#C/C(=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1)C(N)=O	408795027	KULRFXCYELUBGJ-SFQUDFHCSA-N	349.390	1.817	50	40	EDGB	
CCOc1cc(/C=N\NC(=O)c2ccncc2)cc([N+](=O)[O-])c1O	36011556	NUOXMHNEHSCWJX-MFOYZWKCSA-N	330.300	1.858	50	40	EDGB	
COc1ccccc1C(=O)N/N=C(\C)CC(=O)NCc1cccnc1	100049990	RRHCKFXOADAKGX-FYJGNVAPSA-N	340.383	1.902	50	40	EDGB	
Cc1nnc(NNC(=O)c2cc3c(s2)CCCCCC3)[nH]c1=O	11547801	XGIRMIIOPHOVQM-UHFFFAOYSA-N	333.417	1.951	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cccnc1	318727	GRRSACMHQHRSQT-UHFFFAOYSA-N	327.365	1.858	50	40	EDGB	
O=C(Cc1c[nH]c2ccccc12)NNS(=O)(=O)c1ccccc1F	7383972	BAVKNAUZASDAIJ-UHFFFAOYSA-N	347.371	1.859	50	40	EDGB	
CC(C)(C)OC(=O)NOCCOCCOCCBr	169156827	LDLMDHDPMSCEPP-UHFFFAOYSA-N	328.203	1.871	50	40	EDGB	
NNC(=O)Cn1c2c(sc1=O)[C@@H]1c3ccccc3OC[C@@H]1CS2	15087897	BNVUSVIINPEGSJ-PELKAZGASA-N	349.437	1.146	50	40	EDGB	
COCCNC(=O)CC(=O)N/N=C/c1ccc(Br)cc1	5511753	ZPMSKWIKNIEDFA-CXUHLZMHSA-N	342.193	1.052	50	40	EDGB	
O=C(NN[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccco1	243362	TUQNUWLPOJIBMW-LLVKDONJSA-N	333.731	1.500	50	40	EDGB	
C/C(CC(=O)NC[C@H]1CCCO1)=N\NC(=O)c1ccc([N+](=O)[O-])cc1	101532370	UHKIMXQVORVHEG-XWAFYUISSA-N	348.359	1.386	50	40	EDGB	
O=C(CCNC(=O)c1ccccc1Cl)NNC(=O)c1ccccc1	3327047	MRXBPSUHWHKCMK-UHFFFAOYSA-N	345.786	1.921	50	40	EDGB	
O=C(Cc1ccc(F)cc1)NNC(=O)c1cc(=O)c2ccccc2o1	9502604	WNFTUPSXZXXKAR-UHFFFAOYSA-N	340.310	1.936	50	40	EDGB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Cl)CC2)cc1	20181460	MKYUQNJCZZCAIY-GFCCVEGCSA-N	330.837	1.455	50	40	EDGB	
O=C(COC(=O)c1cc2c(s1)CCC2)NNC(=O)c1ccco1	5308363	QYFCETAUEGRTQN-UHFFFAOYSA-N	334.353	1.448	50	40	EDGB	
COC(=O)COc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1	409261726	DBKFMJCGKGNKII-WAKXPGHKSA-N	342.351	1.422	50	40	EDGB	
O=C(CCl)N(c1ccccc1Cl)[C@@H]1CS(=O)(=O)C[C@@H]1O	217385100	LTGIRBFKKSFMKE-MNOVXSKESA-N	338.212	1.070	50	40	EDGB	
COc1cc(C(=O)NNC(=O)/C=C/c2ccco2)cc(OC)c1OC	70590	ZLMIJUSPJSTCHY-VOTSOKGWSA-N	346.339	1.780	50	40	EDGB	
Cn1/c(=N\NC(=O)CNC(=O)OC(C)(C)C)sc2ccccc21	104149626	ZFQRGNAFEPEQRB-QGOAFFKASA-N	336.417	1.696	50	40	EDGB	
C/C(=N\NC(=O)CNC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	5612603	HKZJMKLDPVGCAD-XDHOZWIPSA-N	340.339	1.865	50	40	EDGB	
COc1ccccc1C(=O)NNS(=O)(=O)c1ccc(Cl)cc1	318785	RVJNNGYMTPWTHV-UHFFFAOYSA-N	340.788	1.972	50	40	EDGB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)c(C)c1	4218977	OZQJDRSVQWLSCY-UHFFFAOYSA-N	330.837	1.375	50	40	EDGB	
C[C@@](CC(=O)NNC(=O)c1cccs1)(C(=O)O)c1ccccc1	13252994	CORZLAPMBHAJLT-INIZCTEOSA-N	332.381	1.942	50	40	EDGB	
COc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(N)=O)c2)cc1	408922672	FXZBYIDBHSJAQB-LICLKQGHSA-N	349.368	1.465	50	40	EDGB	
COc1ccc(C(=O)NNC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1	9913491	JUZNTHMCAOBWPM-UHFFFAOYSA-N	329.356	1.918	50	40	EDGB	
COc1cc(/C=N/NC(=O)c2ccccc2O)cc([N+](=O)[O-])c1O	36184668	ISGCJMJBRGOPRT-LZYBPNLTSA-N	331.284	1.779	50	40	EDGB	
COc1cccc(C(=O)N2C[C@@H](C(=O)NN)Oc3ccccc32)c1	225330793	IPKNLOPBAVBZDN-HNNXBMFYSA-N	327.340	1.093	50	40	EDGB	
O=C(NC[C@H]1COc2ccccc2O1)NNC(=O)c1ccccc1	30997244	YXOYVCXDVLZSTH-ZDUSSCGKSA-N	327.340	1.471	50	40	EDGB	
CC(=O)NCCC(=O)NNC(=O)c1cc2c(s1)CCCCCC2	12569262	NBXDKYFCFLWDBO-UHFFFAOYSA-N	337.445	1.694	50	40	EDGB	
COc1ccc(CNC(=O)C/C(C)=N/NC(=O)c2ccncc2)cc1	100614073	IKSLJEHKQLULKI-FYJGNVAPSA-N	340.383	1.902	50	40	EDGB	
NC(=O)N/N=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1	1465210	QSAIDBHAAGIWRL-RQZCQDPDSA-N	328.284	1.816	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccccc1C(F)(F)F)c1ccccn1	7386041	VBWUUJYPWMAXRX-UHFFFAOYSA-N	345.302	1.724	50	40	EDGB	
C[C@@H](C(=O)NNC(=O)c1cccs1)N1C(=O)c2ccccc2C1=O	7717979	MEYLGAZMWTWBOB-VIFPVBQESA-N	343.364	1.194	50	40	EDGB	
COc1ccccc1/C=N/NC(=O)CC(=O)NCc1ccccc1	3057593	VIBAPKGQJAOCIH-DEDYPNTBSA-N	325.368	1.852	50	40	EDGB	
CCCc1nc2c(o1)N(C(=O)OCC)C(N)=C(C#N)C21CCNCC1	5686296	UGSAVYAFWPOTLR-UHFFFAOYSA-N	345.403	1.919	50	40	EDGB	
O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1ccc(O)cc1	6241790	NETGIDKRFWHXOJ-MBTVCVBTSA-N	337.379	1.858	50	40	EDGB	
O=C(NNC(=O)c1cc(F)ccc1Br)c1cnccn1	11531316	HULUDOYDXJJVMP-UHFFFAOYSA-N	339.124	1.453	50	40	EDGB	
CCc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(CC(=O)OC)c32)cc1	8680781	MAXRLMQGJHWTLO-HNNXBMFYSA-N	338.367	1.906	50	40	EDGB	
O=C(O)CCC(=O)NNC(=O)COc1ccc(Cl)cc1Cl	2132034	NILLYZSLQMQPCQ-UHFFFAOYSA-N	335.143	1.384	50	40	EDGB	
Cc1nonc1C1=C[C@@](C)(c2nonc2C)C(C#N)(C#N)C(N)=C1C#N	4171181	NJLPAWYTLSLJDM-HNNXBMFYSA-N	348.326	1.194	50	40	EDGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc([N+](=O)[O-])o1	409224843	MLKOZZVEOVYHCK-VGOFMYFVSA-N	334.244	1.869	50	40	EDGB	
N#C/C(=C\N1CCC(C(=O)O)CC1)C(=O)NCCc1ccccc1	30791194	ZJWJUNKXMVLIGU-DTQAZKPQSA-N	327.384	1.549	50	40	EDGB	
Cc1ccccc1OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	584951	JHOXAJWONSXREC-UHFFFAOYSA-N	329.312	1.743	50	40	EDGB	
O=C1C(Cl)=C(NCCCl)C(=O)C(Cl)=C1NCCCl	1748721	WYVFUBGEAGRWSE-UHFFFAOYSA-N	332.014	1.696	50	40	EDGB	
O=C(COc1ccccc1)NC(=S)NNC(=O)c1cccs1	6529932	LIWAXBGXSCASCR-UHFFFAOYSA-N	335.410	1.463	50	40	EDGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2C(=O)O)c1	59444404	IUHUALCXSBROCY-VCHYOVAHSA-N	341.323	1.482	50	40	EDGB	
C[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)Cc1cccn1C	3297105	KYZVEYCAVGFVNW-NSHDSACASA-N	335.791	1.836	50	40	EDGB	
COc1cc(C(=O)NNC(=O)c2ccnc(F)c2)cc(OC)c1OC	58138300	ZCDAQHINFKUYOJ-UHFFFAOYSA-N	349.318	1.321	50	40	EDGB	
Cc1ccccc1OCC(=O)NCC(=O)N/N=C/c1cccs1	4672767	YIMGBKRLZPPHCO-GIJQJNRQSA-N	331.397	1.702	50	40	EDGB	
CCOC(=O)Cc1n[nH]c2c1[C@@H](c1ccncc1)C(C#N)=C(N)O2	9016024	MEEWFRGIISBUBC-ZDUSSCGKSA-N	325.328	1.128	50	40	EDGB	
O=C(N/N=C\c1ccc(N2CCOCC2)cc1)c1cccc(O)c1	38165468	YUKXVOXCEFSCPS-UYRXBGFRSA-N	325.368	1.993	50	40	EDGB	
CC(=O)/N=C1\c2ccccc2-c2nc3ccccc3/c(=N\NC(C)=O)n21	255189242	OQDMUWSBSQIPHG-VJMDKUEOSA-N	345.362	1.810	50	40	EDGB	
CCc1sc(C(=O)NNC(=O)CN[C@@H](C)Cn2cccn2)cc1C	69776669	KNTFBNXRFPKRLD-LBPRGKRZSA-N	349.460	1.255	50	40	EDGB	
COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCC(=O)O	59334301	OSQGPWAENQPSMJ-WMZJFQQLSA-N	338.747	1.807	50	40	EDGB	
COC(=O)CSC1=C(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)CC(=O)N1	1859600	GPOVLUVQYBLCDR-LLVKDONJSA-N	347.352	1.840	50	40	EDGB	
Cc1ccc(C)c(S(=O)(=O)NNC(=O)Cn2nc(C)cc2C)c1	7386817	IDUHERWFGVXQBI-UHFFFAOYSA-N	336.417	1.126	50	40	EDGB	
COc1ccc(-c2nc(C)cc(SCC(=O)NN)n2)cc1OC	225311172	PMCVTEBOTUWBAU-UHFFFAOYSA-N	334.401	1.551	50	40	EDGB	
N#CC1=C(N)N=C(N2CCOCC2)[C@]12C(=O)OC1=C2CCCCC1	66091653	TVVMCYQIPGUSHM-QGZVFWFLSA-N	328.372	1.186	50	40	EDGB	
Cn1cnnc1SCC(=O)NNC(=O)c1ccc(Cl)cc1	3396578	UHAVBRUTOGIUHC-UHFFFAOYSA-N	325.781	1.022	50	40	EDGB	
COc1ccccc1C(=O)NNC1=NS(=O)(=O)c2ccccc21	76701	GDMHTUBGWVQHLB-UHFFFAOYSA-N	331.353	1.079	50	40	EDGB	
CCN(CC)C(=S)SCC(=O)NNC(=O)c1ccccc1F	7704378	JXKXQZJELYEIGO-UHFFFAOYSA-N	343.449	1.947	50	40	EDGB	
C[C@@H](Oc1ccc(-c2nccc(-c3ccccn3)n2)cc1)C(=O)NN	1405722	SPFDZMHEZXVGTG-GFCCVEGCSA-N	335.367	1.963	50	40	EDGB	
O=C(NNS(=O)(=O)c1cccc(F)c1)c1cc2c(s1)CCC2	12805288	BEMUUQOEGHBATO-UHFFFAOYSA-N	340.401	1.999	50	40	EDGB	
O=C(CCl)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	3887220	MNOHBZYZOODNAZ-UHFFFAOYSA-N	337.228	1.412	50	40	EDGB	
CN(C(=O)Cc1ccc(N)cc1)N(C)C(=O)Cc1ccc(N)cc1	5333791	VVEDIUDMWYMWJE-UHFFFAOYSA-N	326.400	1.468	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)Cc2nc3nc(C)cc(C)n3n2)cc1	5451429	KZKPEANRGXFNKS-UHFFFAOYSA-N	338.371	1.053	50	40	EDGB	
Cn1cc(C(=O)NNC(=S)NC[C@@H]2CCCO2)c2ccccc21	6633136	FZNGCVHDIHBUOM-NSHDSACASA-N	332.429	1.466	50	40	EDGB	
CCOC(=O)COc1ccc(/C=N\NC(=O)c2ccncc2)cc1	33328330	MCXSHPASSOZHPL-ODLFYWEKSA-N	327.340	1.787	50	40	EDGB	
COc1ccc(C(=O)n2cc(C(=O)NN)c3ccccc32)cc1OC	216958747	YCOIMADBAZQQTJ-UHFFFAOYSA-N	339.351	1.951	50	40	EDGB	
COc1cc(/C=N/NC(=O)Cn2nc3ccccc3n2)ccc1O	31246	PRFYMMVUEDCBJS-RQZCQDPDSA-N	325.328	1.296	50	40	EDGB	
C=CCc1cccc2cc(C(=O)NNC(=O)c3ccncc3)c(=O)oc12	281329	FWWDDDPKBMQTIF-UHFFFAOYSA-N	349.346	1.991	50	40	EDGB	
O=C(NN1C(=O)[C@H](Cl)[C@@H]1c1cccc(O)c1)c1ccccc1O	1633523	WOBGAHDETZNABX-KGLIPLIRSA-N	332.743	1.934	50	40	EDGB	
NNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1	2022616	YRNMJERWBOKZEI-OAHLLOKOSA-N	329.356	1.220	50	40	EDGB	
O=C(N/N=C/c1ccccc1C(=O)O)C(=O)Nc1ccc(F)cc1	4904652	STABWBXYYRNUQE-GIJQJNRQSA-N	329.287	1.613	50	40	EDGB	
CCC(=O)NNC(=O)COCC(=O)Nc1cccc(C(F)(F)F)c1	4694263	MEBMPZNNALCDDQ-UHFFFAOYSA-N	347.293	1.218	50	40	EDGB	
C/C(=N\NC(=O)CNC(=O)c1ccc2c(c1)OCCO2)c1ccco1	4807889	NWXMIGPSAIESGD-YBFXNURJSA-N	343.339	1.321	50	40	EDGB	
Cc1occc1C(=O)NNC(=O)NC[C@H]1COc2ccccc2O1	31025627	IIAXRIXJJKKJCV-NSHDSACASA-N	331.328	1.372	50	40	EDGB	
N#C/C(=C\c1ccc(N2CCOCC2)cc1)C(=O)NC[C@@H]1CCCO1	5898884	SVDYYIPJOXEELG-QIPRVMPFSA-N	341.411	1.725	50	40	EDGB	
Cc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccccc2)c1	16348949	ALQREJFREZPMMH-LDADJPATSA-N	345.424	1.766	50	40	EDGB	
C[C@H](NC(=O)C1CCCC1)C(=O)NNC(=O)c1c[nH]c2ccccc12	69770992	GWUSAVAIOAMKNO-NSHDSACASA-N	342.399	1.624	50	40	EDGB	
CCOC(=O)Cc1[nH]nc2c1[C@@H](c1ccc(F)cc1)C(C#N)=C(N)O2	500574	QVBSZMNJIXSDCQ-AWEZNQCLSA-N	342.330	1.873	50	40	EDGB	
Cc1cc(C(=O)NNC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)ccc1[N+](=O)[O-]	2784168	PRNDCMQWJSWHLQ-VXGBXAGGSA-N	347.327	1.331	50	40	EDGB	
CC(=O)N[C@@H](C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C)C(C)C	6983750	KHAKWWUACHRAQK-XJKSGUPXSA-N	349.431	1.379	50	40	EDGB	
CCOC(=O)/C(C#N)=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	218699737	YUBBDWBQFMFNFQ-LCYFTJDESA-N	331.328	1.901	50	40	EDGB	
O=C(CN1CCCCC1=O)NNC(=O)c1ccc2ccccc2n1	44980474	JEVDEMBXFXTIPF-UHFFFAOYSA-N	326.356	1.008	50	40	EDGB	
CC(C)(C)C(=O)NNS(=O)(=O)c1ccc2nc(O)sc2c1	585119892	ZANWMQLVLSABEO-UHFFFAOYSA-N	329.403	1.358	50	40	EDGB	
Nc1nonc1C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1	8379235	OKXLMLDJEHYEOC-REZTVBANSA-N	341.283	1.374	50	40	EDGB	
CCN(CC)c1ccc(C(=O)NN[C@@H](C(N)=O)c2ccccc2)cc1	26223695	ASSWRFOPAKZVFL-QGZVFWFLSA-N	340.427	1.994	50	40	EDGB	
CN(c1ccc(C(=O)N/N=C/c2cccs2)cc1)S(C)(=O)=O	409112465	GPSJWRPMEBJBJY-XNTDXEJSSA-N	337.426	1.908	50	40	EDGB	
Cc1cccc([C@H](O)[C@H](I)S(C)(=O)=O)c1	96519208	FGANCCPJHWZGME-VHSXEESVSA-N	340.182	1.834	50	40	EDGB	
CCN1C(=O)/C(=N/NC(=O)c2ccc3c(c2)OCO3)c2ccccc21	12411997	MWSOWUGOTWWUSN-KNTRCKAVSA-N	337.335	1.916	50	40	EDGB	
O=C(NNC(=O)[C@@H]1CCCN1C(=O)c1cccs1)c1ccccc1	12971404	IMTIUZBEUTXTRY-ZDUSSCGKSA-N	343.408	1.814	50	40	EDGB	
CCN1CCN(c2nc3c(C)cccn3c(=O)c2C=C(C#N)C#N)CC1	5022592	AZELOUIHKCQVBG-UHFFFAOYSA-N	348.410	1.575	50	40	EDGB	
CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccc(O)c(Cl)c1	409266003	VRCZSEDSBIIFCT-GIJQJNRQSA-N	341.795	1.427	50	40	EDGB	
COCCOC(=O)/C(C#N)=C/c1ccc(N2CCOCC2)c(F)c1	409134880	PYZCPULBJVBKCQ-GXDHUFHOSA-N	334.347	1.759	50	40	EDGB	
Cc1cc2c(c(=O)n1C)[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2	2365413	IRSKXIDKIGLPCL-CQSZACIVSA-N	338.323	1.820	50	40	EDGB	
CCOC(=O)N/N=C/c1ccc(OS(C)(=O)=O)c(OCC)c1	4525959	MJFMGSLUOAUWQO-NTEUORMPSA-N	330.362	1.504	50	40	EDGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1cc(C(=O)O)ccc1C	5330955	KEBVKXMLGQTNRX-JYRVWZFOSA-N	325.324	1.828	50	40	EDGB	
COC(=O)c1ccc(/C=C/C(=O)OCC(=O)/C(C#N)=C(/C)N)cc1	104837261	VXGZNQBAQBEWEP-PYSVGYKTSA-N	328.324	1.355	50	40	EDGB	
COc1cc(C(=O)NNC(=O)c2cccnc2O)ccc1OC(C)C	12821237	WXPASQCTUKOAEQ-UHFFFAOYSA-N	345.355	1.658	50	40	EDGB	
C/C(=N\NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1cc2ccccc2o1	96291597	ZUMHIFIEDXFMCG-YXHQGMJNSA-N	335.385	1.643	50	40	EDGB	
N[C@H](Cc1ccc(O)cc1)C(=O)N/N=C\c1ccc2c(c1)OCO2	31769496	WNDAKFHGMUZQCA-NGMPYOPUSA-N	327.340	1.141	50	40	EDGB	
CC(=O)NNC1=NC(c2ccccc2)=NP(N(C)C)(N(C)C)=N1	15906821	SQKBXLFZRXGYFM-UHFFFAOYSA-N	335.352	1.513	50	40	EDGB	
CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N/Nc1c(C)cccc1C	101138842	APSOUMBLZJEMQV-HMMYKYKNSA-N	326.356	1.273	50	40	EDGB	
O=C1CNC(=O)N1N1C(=O)CS[C@@H]1C1=CC=C(Cl)C[C@H]1Cl	74993	BOKADXHVAOHYBT-LDYMZIIASA-N	348.211	1.415	50	40	EDGB	
O=C(NNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1	4313568	ZTARDTCIIZAXGH-UHFFFAOYSA-N	339.304	1.357	50	40	EDGB	
O=C(COC(=O)c1ccc(Cl)cc1O)NNC(=O)c1ccccc1	7199285	LUAHWRCQVRMXDZ-UHFFFAOYSA-N	348.742	1.664	50	40	EDGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)c(OC)c1	18324774	FCWGASCWNLYXNZ-OAHLLOKOSA-N	339.351	1.919	50	40	EDGB	
NNC(=O)c1cnc(-c2ccc(Cl)cc2)nc1N1CCOCC1	223461824	UCBRFYWICBDSIH-UHFFFAOYSA-N	333.779	1.237	50	40	EDGB	
CC1=C2CC[C@H](C)C[C@]23[C@@H]2C(=O)OC(=O)[C@H]2[C@@H]1[C@H]1C(=O)OC(=O)[C@H]13	239402724	RCLQIVSRMJYTOM-VYIYKPKUSA-N	330.336	1.384	50	40	EDGB	
N#CC1=C(SCC(N)=O)NC(=O)[C@H](C#N)[C@@H]1c1ccccc1Cl	4078479	OPTLAPFEYXIVCZ-RNCFNFMXSA-N	346.799	1.647	50	40	EDGB	
O=C(COC(=O)c1ccccc1[N+](=O)[O-])NNC(=O)c1ccccc1	8329705	BYHMSFFXJUJPFN-UHFFFAOYSA-N	343.295	1.213	50	40	EDGB	
CCOC(=O)NNS(=O)(=O)c1ccc(OCC)c(OCC)c1	14235831	GFCJKFHOGPSCEF-UHFFFAOYSA-N	332.378	1.423	50	40	EDGB	
COCc1n[nH]c2c1[C@@H](c1ccc(N(C)C)cc1)C(C#N)=C(N)O2	5817834	OXKYUFXEMROQBT-AWEZNQCLSA-N	325.372	1.840	50	40	EDGB	
COc1ccc(C(=O)N/N=C(\N)c2cc3ccccc3oc2=O)cc1	8553151	PVPHVSQTUGGUFQ-UHFFFAOYSA-N	337.335	1.852	50	40	EDGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)Nc1ccc(C)cc12	51724	XAJFCIBNLQNBGC-SFHVURJKSA-N	339.351	1.746	50	40	EDGB	
O=C(NC(=S)NNC(=O)c1ccco1)c1ccc(F)c(F)c1	2369553	YKUZKLMWQWOAOB-UHFFFAOYSA-N	325.296	1.507	50	40	EDGB	
O=C(NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O)c1cccc([N+](=O)[O-])c1	2774768	RESXJRSBBIFSMA-NEPJUHHUSA-N	335.316	1.247	50	40	EDGB	
CC(C)(C)OC(=O)NCCC(=O)N/N=C/c1cccc2nccnc12	2386786	HBTCLXRQQIHFQB-SRZZPIQSSA-N	343.387	1.995	50	40	EDGB	
CC1(C)C(C#N)=C(SCC(=O)Nc2nccs2)NC(=O)[C@@H]1C#N	4601773	GNMXRXRPBMCOOC-QMMMGPOBSA-N	347.425	1.846	50	40	EDGB	
COCCCNC(=O)CC(=O)N/N=C\c1ccc(C(C)(C)C)cc1	83291004	JEHDVZLEHPWJQR-MOSHPQCFSA-N	333.432	1.977	50	40	EDGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)CNC(=O)c1cccnc1	2245741	PYKFUPSUZMEXMV-UFFVCSGVSA-N	335.367	1.751	50	40	EDGB	
O=C(NNC(=S)Nc1ccc(C(=O)O)c(O)c1)c1ccncc1	1667215	AJSKGTJKGASDBU-UHFFFAOYSA-N	332.341	1.117	50	40	EDGB	
CN(N)C(=O)C1=NO[C@H](Nc2ncc(C(F)(F)F)cc2Cl)C1	64220224	ZYEQEGMVSFACSD-QMMMGPOBSA-N	337.689	1.600	50	40	EDGB	
C/C(=N\NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C)c1ccc(O)cc1	4001354	ABTCYOULJBWEOB-CXUHLZMHSA-N	331.332	1.654	50	40	EDGB	
COc1cccc(/C=N/NC(=O)CN2Cc3ccccc3C2)c1O	409205596	RDPWVRDMJMBCIR-DJKKODMXSA-N	325.368	1.867	50	40	EDGB	
COc1cc(/C=N/NC(=O)COc2ccccc2)c(O)c([N+](=O)[O-])c1	408528968	YKRUBEOILIDCMO-RQZCQDPDSA-N	345.311	1.838	50	40	EDGB	
CCOc1ccccc1N(CC(=O)NN=C(C)C)S(C)(=O)=O	408781567	BVCJFMWEIQKXTI-UHFFFAOYSA-N	327.406	1.363	50	40	EDGB	
CC(C)C(=O)NNC(=O)C1CCN(C(=O)OCC(F)(F)F)CC1	32673501	VIPCZRAIBXSMQT-UHFFFAOYSA-N	339.314	1.201	50	40	EDGB	
COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2cccc(O)c2)cc1	223158738	KVOQIZQCNBZHKV-ZDLGFXPLSA-N	341.323	1.268	50	40	EDGB	
COc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)NN)cc1	96511590	CLMNEGCPKSXZBU-UHFFFAOYSA-N	341.414	1.185	50	40	EDGB	
C[C@@H](Cn1cc([N+](=O)[O-])cn1)C(=O)N/N=C/c1ccc(F)s1	252478667	ARTGZCIXXFRCQH-SKUMYXODSA-N	325.325	1.778	50	40	EDGB	
COc1ccc2c(c1OC)C(=O)O[C@@H]2NNC(=O)c1ccc(O)cc1	5375409	JLNLGHPONVIVJF-INIZCTEOSA-N	344.323	1.513	50	40	EDGB	
O=C1[C@@H](Br)[C@H]2[C@@H]3C[C@@H]4[C@@H](C(=O)[C@H](Br)[C@@H]24)[C@@H]13	169795879	ASRUXQHQIUKJHH-KSVOJXIPSA-N	334.007	1.793	50	40	EDGB	
O=C1c2ccccc2S(=O)(=O)N1CN(CCCl)CCCl	1684611	MLLZJFFQEQCAIG-UHFFFAOYSA-N	337.228	1.568	50	40	EDGB	
C=C(C)Cn1c(=O)c2c(nc3n(CCCl)c(C)cn23)n(C)c1=O	8706158	XWMHFGOBMJZZFT-UHFFFAOYSA-N	335.795	1.273	50	40	EDGB	
C/C(N)=C(/C#N)C(=O)CSc1nnc(-c2ccccc2F)n1N	102957063	OLZDLOXZQCJFLD-CSKARUKUSA-N	332.364	1.215	50	40	EDGB	
C[C@@H]1C(=O)NN=C1C(=O)N/N=C\C(Br)=C\c1ccccc1	100466432	PQPYKRLDVAMWBH-ULMRISHTSA-N	349.188	1.646	50	40	EDGB	
COC(=O)[C@H]1C(=O)NC(SC)=C(C#N)[C@@H]1c1ccc(OC)cc1	12276346	HIGPVJUWMIUVTB-QWHCGFSZSA-N	332.381	1.796	50	40	EDGB	
O=C(NNC(=O)c1ccc[nH]c1=O)c1ccccc1Br	12979504	XFNGMWFLKHSXHE-UHFFFAOYSA-N	336.145	1.212	50	40	EDGB	
N#Cc1ccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCC3)cc1	7379762	JAIJLYLGNRLYDW-UHFFFAOYSA-N	347.421	1.732	50	40	EDGB	
CCOc1ccc(N(C(=O)CCl)[C@H]2CCS(=O)(=O)C2)cc1	40177595	JZZWXLKDOCJFDM-LBPRGKRZSA-N	331.821	1.844	50	40	EDGB	
O=C(Cc1cccs1)NN[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O	100153806	YMMMJIVODKIWMN-CYBMUJFWSA-N	347.371	1.383	50	40	EDGB	
O=C(NNC(=S)NCCc1ccccc1)c1ccc2c(c1)OCO2	6330016	RAWWXZLGBBUJIE-UHFFFAOYSA-N	343.408	1.767	50	40	EDGB	
CCN1C(=O)/C(=N\NC(=O)c2ccc3c(c2)OCO3)c2ccccc21	101631213	MWSOWUGOTWWUSN-MNDPQUGUSA-N	337.335	1.916	50	40	EDGB	
N=C(COc1ncn(-c2ccccc2)n1)NNC(=O)c1ccccc1	1385304	LRLKTEQXPHXUEC-UHFFFAOYSA-N	336.355	1.558	50	40	EDGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccncc1	408910039	VUNHJLRAXVFFOP-RBYWHNRPSA-N	340.383	1.889	50	40	EDGB	
COc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)ccc1OC(C)=O	59063	IIXUZFSBNZNCTJ-HDZGYNCQSA-N	342.351	1.804	50	40	EDGB	
COc1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1OC	7785446	BBKRWLIKABIGMO-GIJQJNRQSA-N	331.328	1.063	50	40	EDGB	
CCOC(=O)c1ccc(NC(=O)CCNC(=O)[C@H](C)Cl)cc1	8733074	USFXUARVIDVTQW-JTQLQIEISA-N	326.780	1.935	50	40	EDGB	
O=C(CCN1CCOCC1)N/N=C/c1ccccc1OC(F)F	23624710	MTFIZLXJPFWJLN-WOJGMQOQSA-N	327.331	1.460	50	40	EDGB	
Cc1ccc(-c2nnc(CCC(=O)NNC(=O)[C@@H]3C[C@@H]3C)o2)cc1	8852408	BBHFAEFMSMHDOU-WCQYABFASA-N	328.372	1.781	50	40	EDGB	
Cc1ccccc1C(=O)NNC(=O)NCCCn1ccccc1=O	84234671	RAVWUOUGEMVDRU-UHFFFAOYSA-N	328.372	1.191	50	40	EDGB	
O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1ccc(O)c(O)c1	3080500	LGCQUMPMKZAMMQ-UFWORHAWSA-N	331.303	1.117	50	40	EDGB	
Cc1ccc(OCC(=O)NNC(=O)COc2ccccc2C)cc1	1801240	OAASJCIAZJFTRT-UHFFFAOYSA-N	328.368	1.909	50	40	EDGB	
COC(=O)N(C)CC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	47922309	RONSGEPAHHKIMK-UHFFFAOYSA-N	337.420	1.439	50	40	EDGB	
CCn1c(NNC(=O)c2c(C)nn(C)c2C)nc2ccccc2c1=O	36390491	DXSFGKPTXQTQPT-UHFFFAOYSA-N	340.387	1.524	50	40	EDGB	
CCOCCCNC(=O)/C(C#N)=C/c1n[nH]nc1-c1ccccc1	96034922	MQNPFTYACSWCJD-SDNWHVSQSA-N	325.372	1.921	50	40	EDGB	
NC(=O)CCn1cc(/C=N/NC(=O)c2ccncc2)c2ccccc21	409367657	HJTXQVZXZQDDGA-SRZZPIQSSA-N	335.367	1.676	50	40	EDGB	
CCOC(=O)NNC(=O)[C@@H]1CS[C@@H](c2ccccc2)N1C(C)=O	1643135	PVAXZHBYAYNHQC-JSGCOSHPSA-N	337.401	1.426	50	40	EDGB	
O=C(CNC(=O)c1cccs1)N/N=C/c1ccc2c(c1)OCO2	3108916	SVRDYOZZTKXMGD-REZTVBANSA-N	331.353	1.357	50	40	EDGB	
O=C(NNC(=O)c1ccccc1O)/C(O)=C/C(=O)c1ccccc1	100932856	VEKGBLPBPLEBNQ-GDNBJRDFSA-N	326.308	1.478	50	40	EDGB	
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NNC(=O)CCCC(=O)O	2110611	BRPRXFFTHKWXBU-JTQLQIEISA-N	342.779	1.818	50	40	EDGB	
CC(=O)N1CCC[C@H](C(=O)NNC(=O)c2oc3ccccc3c2C)C1	8163119	PYZHDZVVLBZUOQ-ZDUSSCGKSA-N	343.383	1.761	50	40	EDGB	
CN(C)c1ccc(/C=C(\C#N)C(=O)NCCCN2CCOCC2)cc1	16791040	KPPTUDIIGSJIOZ-SAPNQHFASA-N	342.443	1.498	50	40	EDGB	
CCS(=O)(=O)N(C)CCCNC(=O)/C(C#N)=C\c1ccc(C)cc1	48963673	WXBLBSHUQRBFGB-VBKFSLOCSA-N	349.456	1.690	50	40	EDGB	
CSc1ncc(Cl)c(C(=O)NNC(=O)Cc2ccccc2)n1	13624331	ZHBNVUUMVQLYPR-UHFFFAOYSA-N	336.804	1.856	50	40	EDGB	
COc1ccc(CC(=O)N/N=C\c2ccc(O)c(O)c2)cc1OC	34629365	OBQKCAPRCJEPTH-ZDLGFXPLSA-N	330.340	1.808	50	40	EDGB	
CC(=O)N1CCN(CCN2C(C)=CC(=C(C#N)C#N)C=C2C)CC1	25326594	GBHCOBVZLZXUQL-UHFFFAOYSA-N	325.416	1.617	50	40	EDGB	
O=C(CI)Nc1cccc(NC(=O)C(=O)O)c1	1686820	MYQYPESKUZJEJB-UHFFFAOYSA-N	348.096	1.083	50	40	EDGB	
O=C1[C@@H](Br)[C@H]2[C@@H]3C[C@H]4[C@H](C(=O)[C@H](Br)[C@H]42)[C@@H]13	100012114	ASRUXQHQIUKJHH-DIVPFCRNSA-N	334.007	1.793	50	40	EDGB	
NC(=O)COc1ccc(Cl)cc1/C=N\NC(=O)c1ccccc1	409268269	RTQOCLWCNLJPQI-OCKHKDLRSA-N	331.759	1.968	50	40	EDGB	
CCC[C@@H]1C2=C(C(=O)OC2=O)[C@@H]2[C@H](CC)CC3=C(C(=O)OC3=O)[C@H]12	73258402	ISPXPOYARSGEDK-JZSSXWJLSA-N	330.336	1.839	50	40	EDGB	
Cc1cc(Cl)c(S(=O)(=O)NNC(=O)C2CCC2)c(C)c1O	1615587410	LDTUPWMTORISQC-UHFFFAOYSA-N	332.809	1.772	50	40	EDGB	
C[C@@]1(SS[C@]2(C)CCS(=O)(=O)C2)CCS(=O)(=O)C1	12175747	ZAJGZTALSIIAKL-NXEZZACHSA-N	330.518	1.522	50	40	EDGB	
O=C(NNC(=O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)O)c1cccc(Cl)c1	13138887	YNIJWSOZPHETTQ-FQPOAREZSA-N	336.775	1.848	50	40	EDGB	
O=C(Cc1cccs1)NNS(=O)(=O)c1cccc([N+](=O)[O-])c1	4957253	JYCRYBBACVLHFF-UHFFFAOYSA-N	341.370	1.209	50	40	EDGB	
C[C@]1(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1Br	2300695	HUEJJPPJVOBPHU-CABZTGNLSA-N	342.149	1.529	50	40	EDGB	
O=C(NC(=S)NNC(=O)c1ccc(O)cc1O)c1ccccc1	2377203	XONNGRHIIOMDMC-UHFFFAOYSA-N	331.353	1.047	50	40	EDGB	
O=C(CCCCl)N1CCN(S(=O)(=O)c2ccccc2)CC1	3886823	DNRMHILXALASRT-UHFFFAOYSA-N	330.837	1.539	50	40	EDGB	
NC(=O)COc1cccc(/C=N\NC(=O)c2ccc(Cl)cc2)c1	409257846	QQNUVVOXILDPBN-OCKHKDLRSA-N	331.759	1.968	50	40	EDGB	
CN(C)CCCc1ccc2c(c1)cc(B(O)O)n2C(=O)OC(C)(C)C	201301453	RBDBXNGTQSNMBO-UHFFFAOYSA-N	346.236	1.599	50	40	EDGB	
CCCc1cc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cs1	102207923	UORYALHLDZCESL-ZNIXKSQXSA-N	348.424	1.985	50	40	EDGB	
NNC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccccc1	6240441	DPCOSXCVEATRNO-UHFFFAOYSA-N	340.412	1.470	50	40	EDGB	
O=CN[C@@H](Cc1cccc(N(CCCl)CCCl)c1)C(=O)O	104357142	KJWKATBKKLQSGS-ZDUSSCGKSA-N	333.215	1.712	50	40	EDGB	
COCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c1C	28934080	PBCJZZCZEKLANP-BRVCPTFNSA-N	331.416	1.954	50	40	EDGB	
COP(=O)(CCC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)OC	5743332	CSFVQLUUHSYZJJ-UKTHLTGXSA-N	329.249	1.921	50	40	EDGB	
COc1ccccc1C(=O)N/N=C/c1cc([N+](=O)[O-])c(O)cc1O	5515002	QSYLPKKNAGPZES-LZYBPNLTSA-N	331.284	1.779	50	40	EDGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)Nc1ccc(F)cc12	50645	SBKWXFCHFMHFDT-KRWDZBQOSA-N	343.314	1.577	50	40	EDGB	
Cc1c(C(=O)NNS(=O)(=O)c2ccccc2)sc(=S)n1C	205947	WRFHUWVYAILZGR-UHFFFAOYSA-N	343.455	1.748	50	40	EDGB	
CCOc1ccc(/C=N/NC(=O)Nc2nonc2N)c(OCC)c1	535221	NZJBGSXBIQGPQY-LZYBPNLTSA-N	334.336	1.605	50	40	EDGB	
O=C(N/N=C/c1ccccc1O)C(=O)Nc1ccc([N+](=O)[O-])cc1	58885048	ZKNGALPHXZOXOY-CXUHLZMHSA-N	328.284	1.389	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccc(Br)cc1)c1ccco1	14084683	ZKVBKGRAUDLRAZ-UHFFFAOYSA-N	345.174	1.665	50	40	EDGB	
C[S@](=O)(=NS(=O)(=O)NNC(=O)C1CCCC1)c1ccccc1	585118915	HWXUYQIUZQRKFB-OAQYLSRUSA-N	345.446	1.199	50	40	EDGB	
O=S(=O)(N[C@@H]1[C@H]2COC[C@H]21)c1sc(Cl)nc1CCl	1616034411	KQPOODSAYZZDMK-KCQQBQQISA-N	329.230	1.458	50	40	EDGB	
COc1ccc(O)c(/C=N/NC(=O)[C@@H](C)n2nnc3ccccc32)c1	174572	VXIZJWGBBYAAPU-VDCVXVNISA-N	339.355	1.857	50	40	EDGB	
O=C(CN1CCOCC1)N/N=C/c1cccc(Br)c1	20064286	XIKQICCIYSRZFE-OQLLNIDSSA-N	326.194	1.231	50	40	EDGB	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1C	13252876	QHTOTNDWQCTMIN-LSDHHAIUSA-N	346.383	1.497	50	40	EDGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc(C(N)=O)cc2)c1	17070976	GDVPCFYLENGSBO-SRZZPIQSSA-N	338.367	1.898	50	40	EDGB	
Cc1ccccc1C(=O)NNC(=O)c1cc(-n2ccnc2C)ccn1	65548680	TYMMQNXHMODHIO-UHFFFAOYSA-N	335.367	1.959	50	40	EDGB	
CCOC(=O)Nc1nnc(S[C@H](C)C(=O)NNC(=O)CC)s1	69653897	ZNGDFXLIWOMMSG-ZCFIWIBFSA-N	347.422	1.145	50	40	EDGB	
COC(=O)C1=CC(=O)O[C@]1(OO)c1ccc(Br)cc1	73370391	YGVJADOWJUYOJD-LBPRGKRZSA-N	329.102	1.748	50	40	EDGB	
C=CCN1C(=O)[C@@H](CC(=O)O)S/C1=N/NC(=O)c1ccccc1	5377367	MTACNJNYRCTMCL-WYFZMLARSA-N	333.369	1.292	50	40	EDGB	
Cc1ccccc1-c1nnn(CC(=O)NNC(=O)c2ccccc2)n1	31629261	HRFQBTBXUSCGQJ-UHFFFAOYSA-N	336.355	1.110	50	40	EDGB	
COc1ccccc1C(=O)N/N=C1/C(=O)Nc2c(OC)cccc21	59472652	ZZGLMOXJFUJNNM-UHFFFAOYSA-N	325.324	1.790	50	40	EDGB	
CCCNC(=O)NNC(=O)c1cccn(Cc2cccc(F)c2)c1=O	23136094	MXHJIUWDRULEEC-UHFFFAOYSA-N	346.362	1.390	50	40	EDGB	
CCn1c(SCC(=O)NNC(C)=O)nnc1-c1ccc(OC)cc1	411973	SGSGQWQAAYMUIR-UHFFFAOYSA-N	349.416	1.233	50	40	EDGB	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O	6241828	AVKVTROIMBJUTG-PKIAMQTDSA-N	348.786	1.553	50	40	EDGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc2c(c1)NC(=O)CS2	104385321	KKLZKVUBBUTBNX-NTMALXAHSA-N	331.353	1.213	50	40	EDGB	
COc1ccccc1/C=C/C(=O)NCC(=O)N/N=C/c1cccnc1	3068774	FIVAYVNKHHIZKV-UJJPUTLFSA-N	338.367	1.370	50	40	EDGB	
Cc1ccc(O)c(/C=N/NC(=O)CNC(=O)c2cccc(F)c2)c1	3080502	MXXRJRBBIAMURQ-AWQFTUOYSA-N	329.331	1.720	50	40	EDGB	
C=CCCO[C@H](C)C(=O)NNC(=O)c1cc(Br)cn1C	58014511	UGAJDEIHMJNSKN-SECBINFHSA-N	344.209	1.530	50	40	EDGB	
CC(C)c1c(C(=O)N/N=C/[C@@H]2CC=CCC2)nnn1-c1nonc1N	5092198	ZXFZWVWWBGFTBO-UWOUAGFBSA-N	344.379	1.428	50	40	EDGB	
CCC1=C(C(=O)OC)[C@@]2(C(=O)Nc3c(C)cccc32)C(C#N)=C(N)O1	4655626	DTNIMBONCNDJCA-SFHVURJKSA-N	339.351	1.746	50	40	EDGB	
O=C(N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccco1	4788590	VEPZDHHCODMQLX-GZTJUZNOSA-N	344.327	1.788	50	40	EDGB	
CCCc1[nH]nc(C(=O)NNC(=O)c2ccc(CC)cc2)c1[N+](=O)[O-]	68460501	RMNZLBXXSDZKNI-UHFFFAOYSA-N	345.359	1.908	50	40	EDGB	
CC(C)C(=O)NNS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1	71916534	IGMVRFFKLIEABM-UHFFFAOYSA-N	326.205	1.541	50	40	EDGB	
Cc1scc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)c1C	5697396	XAQVXSCIVYABAS-DNIRFERGSA-N	336.413	1.873	50	40	EDGB	
CCS(=O)(=O)[C@](C)(CCl)C(=O)Nc1ccc(C(=O)OC)cc1	2366726	BNFVVQFQKLDZCV-CQSZACIVSA-N	347.820	1.844	50	40	EDGB	
O=C(NN[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccncc1	175719	RIOGHTWAAUZFAY-ZDUSSCGKSA-N	344.758	1.302	50	40	EDGB	
Cc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1	6840335	NYLAIOQMXDJEJT-LDADJPATSA-N	345.424	1.766	50	40	EDGB	
O=C1Nc2ccccc2/C1=N\NC(=O)c1nc2ccccc2c(=O)[nH]1	6147391	UHHWDUZMZFQZCO-UHFFFAOYSA-N	333.307	1.009	50	40	EDGB	
CCCCC(=O)NN/C=C1\C(=O)N=C(O)N(Cc2ccccc2)C1=O	6782943	VZCIOUDAQZHADZ-JLHYYAGUSA-N	344.371	1.164	50	40	EDGB	
O=C(O)c1ccccc1C(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	4900859	OFSDVWHQUSUUEO-UHFFFAOYSA-N	346.255	1.958	50	40	EDGB	
O=C(COc1ccccc1)N/N=C1/SCC(=O)N1Cc1ccco1	33335263	HXEGENCREGRATA-FBMGVBCBSA-N	345.380	1.821	50	40	EDGB	
C/C(CC(=O)NC1CCCCC1)=N\NC(=O)C(=O)N1CCCCC1	100530216	ZXCSIPOAAJIWAT-CPNJWEJPSA-N	336.436	1.330	50	40	EDGB	
Cc1cc(C)n(Cc2ccc(C(=O)NNC(=S)NC3CC3)o2)n1	2788185	KSTJFBLBALCZQT-UHFFFAOYSA-N	333.417	1.413	50	40	EDGB	
O=C(/C=C/c1ccco1)NNC(=O)COc1ccc([N+](=O)[O-])cc1	1794823	MTKPAZFKQPQMRU-BQYQJAHWSA-N	331.284	1.427	50	40	EDGB	
Cc1ccc(OCC(=O)N/N=C\c2ccc([N+](=O)[O-])o2)c([N+](=O)[O-])c1	13944079	MJPZQCUNZAOXPM-CHHVJCJISA-N	348.271	1.934	50	40	EDGB	
O=C(COc1ccccc1)NNC(=S)NC(=O)c1cccs1	6529942	WWNINKMBRIBHIY-UHFFFAOYSA-N	335.410	1.463	50	40	EDGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(O)c([N+](=O)[O-])c1	408875618	GKQUMZKPAGYBGX-CXUHLZMHSA-N	344.283	1.901	50	40	EDGB	
COc1ccc(C(=O)NNC(=O)CN2C[C@@H](C)C[C@@H](C)C2)cc1OC	12938637	JAAJEPSTFCZCRS-BETUJISGSA-N	349.431	1.443	50	40	EDGB	
CCOc1cnc(C(=O)NNC(=O)[C@H](Br)C(C)C)o1	4070635	MNUFFMKSXHKEPW-MRVPVSSYSA-N	334.170	1.254	50	40	EDGB	
CCOC(=O)N1CCN(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)CC1	101192698	XTCMAMAOGYYDAF-OUKQBFOZSA-N	346.362	1.946	50	40	EDGB	
CCn1c(SCC(=O)NNC(=O)C(C)C)nnc1-c1ccco1	4882081	ZTWIFUZOXYMHJI-UHFFFAOYSA-N	337.405	1.454	50	40	EDGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccccn2)cc1Cl	59516262	AXVNUDVPODUKLV-GIJQJNRQSA-N	332.747	1.832	50	40	EDGB	
C[C@H](Sc1nc2ccccc2[nH]1)C(=O)NNC(=O)c1ccncc1	192082	JFHMONISKJLGIX-JTQLQIEISA-N	341.396	1.900	50	40	EDGB	
CC(=O)N[C@H](C(=O)NNC(=O)c1ccc(OC(C)C)cc1)C(C)C	14244391	UVKVNCMTKUMRTQ-HNNXBMFYSA-N	335.404	1.396	50	40	EDGB	
Cc1n[nH]c(C)c1S(=O)(=O)NNC(=O)c1cc2c(s1)CCC2	9578356	XPOBTKSYEQGLLA-UHFFFAOYSA-N	340.430	1.200	50	40	EDGB	
O=C(NNC(=O)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2)c1ccccc1Cl	408673630	XGDFTTURTGCYSB-BGOQRUQCSA-N	334.759	1.299	50	40	EDGB	
N#CCC(=O)N/N=C/c1ccc(O)c(I)c1	5713362	MPGVCJOGMAFJGE-AWNIVKPZSA-N	329.097	1.361	50	40	EDGB	
O=C(CCc1ccccc1)NNC(=O)[C@H]1COc2ccccc2O1	12942869	ADZOSCIKYSBREF-MRXNPFEDSA-N	326.352	1.607	50	40	EDGB	
Cc1cc(C)nc(NNC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)n1	13014439	KQCLGTURQDUYAO-CYBMUJFWSA-N	343.387	1.682	50	40	EDGB	
C[C@@H]1Cc2cc(/C=C(\C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)ccc2O1	5399301	KUJLYSLZWSSDIY-UQWTUQMWSA-N	346.408	1.220	50	40	EDGB	
CCc1sc(C(=O)NNC(=O)CN2CCC(OC)CC2)cc1C	71914538	HULCVDTYLNPUEE-UHFFFAOYSA-N	339.461	1.491	50	40	EDGB	
O=C(Nc1cccc(Br)c1)c1cc(B(O)O)ccc1F	169995099	MJENMFZGWTYRSJ-UHFFFAOYSA-N	337.941	1.520	50	40	EDGB	in-vitro
COc1cccc(C(=O)NNC2=NS(=O)(=O)c3ccccc32)c1	5720985	XMMXAAWCKTXYEA-UHFFFAOYSA-N	331.353	1.079	50	40	EDGB	
CSC1=N[C@@](NC(=O)c2ccccc2)(C(Cl)Cl)C(=O)N1	101087832	BQABDLYFXSYVFA-LBPRGKRZSA-N	332.212	1.765	50	40	EDGB	
COC(=O)[C@H]1C(=O)NC(SC)=C(C#N)[C@H]1c1ccc(OC)cc1	12276348	HIGPVJUWMIUVTB-CHWSQXEVSA-N	332.381	1.796	50	40	EDGB	
O=C(NN[C@@H]1CC(=O)N(c2ccccc2Cl)C1=O)c1ccncc1	520654	HPQOZOACTCGOKJ-GFCCVEGCSA-N	344.758	1.302	50	40	EDGB	
O=C(NN=C1CCCCC1)c1cnc2nc(C(F)(F)F)nn2c1O	13642490	BVRPNNOTQBCEOT-UHFFFAOYSA-N	342.281	1.899	50	40	EDGB	
COCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2ccccc2F)C1=O	9421063	CKZAMJDBJZHFRB-RAXLEYEMSA-N	329.331	1.977	50	40	EDGB	
CCS(=O)(=O)[C@@H](Br)[C@@H](O)c1ccc([N+](=O)[O-])cc1	96519087	MRLHWFYXCMIWQR-VHSXEESVSA-N	338.179	1.784	50	40	EDGB	
C/C(CC(=O)Nc1ccc(N(C)C)cc1)=N\NC(=O)c1cnccn1	100509399	GESIRFNGGLAAHQ-CIAFOILYSA-N	340.387	1.677	50	40	EDGB	
N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccccc1[N+](=O)[O-]	1870911	YYZJHCHFUGRDDU-CYBMUJFWSA-N	341.279	1.258	50	40	EDGB	biogenic,in-vitro
Cc1ccc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1C	12942882	YKZJUDSVABTZHH-MRXNPFEDSA-N	326.352	1.904	50	40	EDGB	
Cc1noc(C)c1CC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	27197794	FEZOKQCLAQJLDM-LLVKDONJSA-N	335.335	1.588	50	40	EDGB	
O=C(N/N=C/c1ccc(N2CCOCC2)c(F)c1)c1ccncc1	409124583	AZCKHZCFJHVNMQ-UDWIEESQSA-N	328.347	1.821	50	40	EDGB	
C[S@@](=O)(=NS(=O)(=O)NNC(=O)C1CCCC1)c1ccccc1	585118914	HWXUYQIUZQRKFB-NRFANRHFSA-N	345.446	1.199	50	40	EDGB	
COc1cccc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])c1O	3030408	QBFFLPCFQOLHHC-RQZCQDPDSA-N	345.311	1.838	50	40	EDGB	
Cc1cccc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)c1C	6653435	ZJYPIEPILKMQRU-UHFFFAOYSA-N	336.351	1.615	50	40	EDGB	
C[C@@H](Oc1ccccc1)C(=O)NNc1nc(Cl)nc(N(C)C)n1	360595	FLDAYDKDPAEDLF-SECBINFHSA-N	336.783	1.502	50	40	EDGB	
Cn1nccc1C(=O)OCC(=O)N/N=C1/C[C@H]2CC[C@@]1(C)C2(C)C	102112900	MIUYPMFCCMIWQZ-VMKFTMJJSA-N	332.404	1.895	50	40	EDGB	
CS(=O)(=O)N1C[C@H]2C[C@@H](Br)[C@@H](Br)C[C@@H]21	104278115	UQJJYSWVHVITOL-NGJRWZKOSA-N	347.072	1.567	50	40	EDGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc([N+](=O)[O-])s1	2099972	WFIMDSKEXYQKAT-OVCLIPMQSA-N	348.340	1.754	50	40	EDGB	
CC(=O)N[C@H](C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C	5065531	BEGOCOLZEJLVOR-URZJAHPPSA-N	335.448	1.511	50	40	EDGB	
COC(=O)C1CCN(/C=C(\C#N)C(=O)NCc2ccccc2)CC1	32035785	TVHYARYXUSOGAK-DTQAZKPQSA-N	327.384	1.595	50	40	EDGB	
Cc1cc(C(=O)NNC(=O)[C@H](C)NC(=O)c2ccccc2)c(C)o1	3550549	WIMHDOABROHPEK-NSHDSACASA-N	329.356	1.476	50	40	EDGB	
CCn1ncc(/C=N/NC(=O)Cn2cc(Br)cn2)c1F	252510671	ZNXXHTDOOXKSGI-LZWSPWQCSA-N	343.160	1.151	50	40	EDGB	
C/C(=N\NC(=O)Cn1nnc2ccccc21)c1ccc([N+](=O)[O-])cc1	4672202	CEOHTUIYZBPUSN-GZTJUZNOSA-N	338.327	1.880	50	40	EDGB	
COc1cccc(OC)c1/C=N/NC(=O)C(=O)NCc1ccccc1	6583666	MSKGTRSCHNBQGJ-UDWIEESQSA-N	341.367	1.470	50	40	EDGB	
C/C(=N\NC(=O)C(N)=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1	21908965	GYIUCZAADMDJBV-LZYBPNLTSA-N	332.341	1.649	50	40	EDGB	
N#CC1=C(N)NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccccc1Cl	3899529	AGEFFQMVGLBRPU-CYBMUJFWSA-N	345.815	1.674	50	40	EDGB	
CCCCC(=O)NN/C=C1\C(=O)N(c2ccc(F)cc2)C(=O)N=C1O	38168492	XCQNKTPBPOQYMC-XFXZXTDPSA-N	348.334	1.944	50	40	EDGB	
O=C(Cc1cc[nH]n1)NNC(=O)C(c1ccccc1)c1ccccc1	69351469	SZFSRLGSGOHDLL-UHFFFAOYSA-N	334.379	1.932	50	40	EDGB	
COc1cc(/C=N/NC(=O)c2ccc(CN)cc2)cc(OC)c1O	3287923	JZVDGHIGPVWLNB-VXLYETTFSA-N	329.356	1.632	50	40	EDGB	
C/C(=N\NC(=O)C1CC1)c1ccc(S(=O)(=O)N2CCCC2)cc1	7778951	JCEMVALZXSPSKL-SFQUDFHCSA-N	335.429	1.721	50	40	EDGB	
Cc1ccccc1N(CC(=O)N/N=C/c1ccncc1)S(C)(=O)=O	20207496	SBSQKMAOZZTNIW-WOJGMQOQSA-N	346.412	1.306	50	40	EDGB	
C[C@H](CCc1ccccc1)NS(=O)(=O)c1cccc(C(=O)NN)c1	225502441	GOHKBTZGMMEAGR-CYBMUJFWSA-N	347.440	1.590	50	40	EDGB	
O=C(CI)N[C@H](Cc1ccccc1)C(=O)O	2042906	XTMUZQRZFDMMCK-SECBINFHSA-N	333.125	1.234	50	40	EDGB	
O=C1[C@@H](Br)[C@@H]2[C@H]3[C@@H](Br)C(=O)[C@@H]4[C@@H]1[C@H]2C[C@H]43	100012111	ASRUXQHQIUKJHH-XBJONROOSA-N	334.007	1.793	50	40	EDGB	
O=C(NNC(=S)NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1	2064479	FLYCBAJDRHWCGW-UHFFFAOYSA-N	344.352	1.544	50	40	EDGB	
CCCCC(=O)NN/C=C1/C(=O)N=C(O)N(c2ccccc2F)C1=O	2306646	NGOYECWBJGRFOK-KTKRTIGZSA-N	348.334	1.308	50	40	EDGB	
C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1cccnc1	13007957	FESVIVXSKDHNGY-LBPRGKRZSA-N	342.355	1.158	50	40	EDGB	
CC(C)n1nc(C(=O)NNC(=O)[C@H]2C[C@H]2C)c2ccccc2c1=O	14240100	YQFFTYDRKLOVLI-MFKMUULPSA-N	328.372	1.394	50	40	EDGB	
O=C(NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2)c1ccc(Cl)cc1	4651762	ZHLDZBFPGAIYNY-URBCHYCLSA-N	336.775	1.848	50	40	EDGB	
Cn1c(=O)n(C)c2cc(/C=C(\C#N)C(=O)NCc3ccccn3)ccc21	7499965	KQOUMIZSFXQJPH-NTEUORMPSA-N	347.378	1.495	50	40	EDGB	
COc1cccc(CO[C@H](C)C(=O)NNC(=O)c2c[nH]nc2C)c1	69697454	DFDZZQJLFXYSHT-LLVKDONJSA-N	332.360	1.093	50	40	EDGB	
COc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OCC(N)=O	8112996	YFIKXRPHJIZPSF-GIJQJNRQSA-N	347.396	1.314	50	40	EDGB	
O=C(CI)N[C@@H](Cc1ccccc1)C(=O)O	1700127	XTMUZQRZFDMMCK-VIFPVBQESA-N	333.125	1.234	50	40	EDGB	
C/C(CC(=O)Nc1cccc(C#N)c1)=N\NC(=O)C(=O)N1CCCC1	100951165	OCUQPUAFOHYYLV-UDWIEESQSA-N	341.371	1.001	50	40	EDGB	
COC(=O)[C@H]1[C@@H]2C[C@H]3[C@@H](OC(=O)[C@]13C)[C@H]2I	103859484	BYKYYSISVSYONV-HKRHRSJPSA-N	336.125	1.161	50	40	EDGB	
COc1cccc(C(=O)N/N=C\c2cccc(OCC(N)=O)c2)c1	409268647	XBIQCVHAQOWKGM-GRSHGNNSSA-N	327.340	1.323	50	40	EDGB	
C#CCOc1ccc(OC)cc1/C=N/NC(=O)CC1(C)OCCO1	409372923	QLUMQITYLVLMFR-LDADJPATSA-N	332.356	1.310	50	40	EDGB	
COc1nn(C)cc1C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	1543550188	FHQXBIYGNASPMB-UHFFFAOYSA-N	348.750	1.889	50	40	EDGB	
CCNC(=S)NNC(=O)COc1cc2c(C)cc(=O)oc2cc1C	6438728	FHFRWTIDSRHCKC-UHFFFAOYSA-N	349.412	1.304	50	40	EDGB	
O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1c(O)ccc2ccccc12	7813089	CECGJMPWMGANRI-HSWQHBDASA-N	341.367	1.291	50	40	EDGB	
CCn1cc(Cl)c(C(=O)NNC(=S)Nc2cn(C)nc2C)n1	2793921	RJTKCOSMWQLIIJ-UHFFFAOYSA-N	341.828	1.230	50	40	EDGB	
CCCCC(=O)NN/C=C1/C(=O)N(c2ccc(F)cc2)C(=O)N=C1O	9012423	XCQNKTPBPOQYMC-FMIVXFBMSA-N	348.334	1.944	50	40	EDGB	
COc1ccc(OC)c(/C=N/NC(=O)C(=O)NC2CCCCCC2)c1	409006896	SAPVFUAVYATYOC-XDHOZWIPSA-N	347.415	1.993	50	40	EDGB	
CC(/C=N/NC(=O)Cn1nnc(N)n1)=C\c1ccc(C(C)C)cc1	547745	DCWMEZNRQOBYJB-KJXRKRIBSA-N	327.392	1.584	50	40	EDGB	
COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCC(=O)O	5743978	YOHFURUOGDPFGC-GIJQJNRQSA-N	329.312	1.318	50	40	EDGB	
COc1cc(/C=N/NC(=O)[C@H](N)Cc2ccc(O)cc2)ccc1O	1576694	CHHJFLAURAZPIA-LEBHLANCSA-N	329.356	1.127	50	40	EDGB	
COc1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2Cl)cc1	2622244	CUYAZNOYKOBABI-UHFFFAOYSA-N	347.758	1.748	50	40	EDGB	
Cn1nc(C(=O)NNC(=O)c2ccccc2F)c2ccccc2c1=O	3413379	APOQDBWYJPJAPC-UHFFFAOYSA-N	340.314	1.147	50	40	EDGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)cc1	4544334	SSMNBCQQIBOFIL-KEBDBYFISA-N	341.367	1.388	50	40	EDGB	
COc1ccc(C(=O)NNC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)O)cc1	4651747	NGEVVYSYBSFGFI-GJZGRUSLSA-N	346.383	1.903	50	40	EDGB	
N#C/C(=C\c1ccccc1OCC(N)=O)C(=O)Nc1ccc(O)cc1	409225438	QSJCGLQUWGOPQF-UKTHLTGXSA-N	337.335	1.802	50	40	EDGB	
COc1cc(C)c(/C=N\NC(=O)CN2CCOCC2)cc1C(C)C	408992725	BHBJHTKCSCCTMZ-ODLFYWEKSA-N	333.432	1.909	50	40	EDGB	
COc1ccc(C(=O)N/C(=C/c2cccs2)C(=O)NN)cc1OC	1299154	MKYICXGRADGCTI-FMIVXFBMSA-N	347.396	1.526	50	40	EDGB	
Cc1cc(=O)[nH]c2cc(NC(=O)CCSS(C)(=O)=O)ccc12	22053974	BODOKIPWMICFGD-UHFFFAOYSA-N	340.426	1.858	50	40	EDGB	in-vitro
Cc1ccc(C(=O)NNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1	13006306	AZIQOMGJNXKMLO-BLLLJJGKSA-N	333.413	1.210	50	40	EDGB	
C[C@@H](OC(=O)CBr)[C@@H](C)OC(=O)CBr	1674800	XNOGFVKAYPLYHY-PHDIDXHHSA-N	331.988	1.640	50	40	EDGB	
CC(=O)C/C(=C/c1ccc(I)o1)C(=O)NN	3166052	MNIGRHHBZJBYEV-ALCCZGGFSA-N	334.113	1.237	50	40	EDGB	
Cn1c(SCC(=O)NNC(=O)c2ccccc2)nnc1C1CC1	4882170	IEDZMLYYCARPTA-UHFFFAOYSA-N	331.401	1.246	50	40	EDGB	
CCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccncc2)s1	59498729	HBTDISGAIFSARN-CXUHLZMHSA-N	332.389	1.365	50	40	EDGB	
CCOc1ccc(C(=O)NNC(=O)c2c[nH]c(C)c(Cl)c2=O)cc1	89991091	LSBPBPBVPANCGL-UHFFFAOYSA-N	349.774	1.810	50	40	EDGB	
O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1cccs1	42216639	AQDDGOQJALUUGS-UHFFFAOYSA-N	331.401	1.216	50	40	EDGB	
Cn1cc([N+](=O)[O-])c(C(=O)N/N=C/c2c(O)ccc3ccccc23)n1	37146	SSLHEVCIYMVQHS-CAOOACKPSA-N	339.311	1.951	50	40	EDGB	
N#C/C(=C/c1cc(Br)c(N2CCOCC2)o1)C(N)=O	1096215	WWRWREVSINIVKE-YVMONPNESA-N	326.150	1.271	50	40	EDGB	
NNC(=O)Cn1c2c(sc1=O)[C@H]1c3ccccc3OC[C@H]1CS2	15087894	BNVUSVIINPEGSJ-QPUJVOFHSA-N	349.437	1.146	50	40	EDGB	
NNC(=O)CCCC(=O)Nc1ccc(I)cc1	5569803	ZHQJCDXFFRXVNT-UHFFFAOYSA-N	347.156	1.390	50	40	EDGB	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)cc1OC	352379	ZLRRBXQBOJVEBQ-HNNXBMFYSA-N	330.340	1.958	50	40	EDGB	
CC1(C)[C@]2(C(=O)NNC(=O)Cc3ccccc3)CC[C@@]1(C)C(=O)O2	525443	DPOADRMQRWCCCK-ZWKOTPCHSA-N	330.384	1.498	50	40	EDGB	
CN(NC(=O)NN(C)C(=O)c1ccccc1)C(=O)c1ccccc1	1711855	QAFZTDJIUTUUCB-UHFFFAOYSA-N	326.356	1.660	50	40	EDGB	
Cn1/c(=N\NC(=O)c2ccc(C(N)=O)cc2)sc2ccccc21	103405283	JJAMIIYLFWHQJY-KNTRCKAVSA-N	326.381	1.584	50	40	EDGB	
COc1c(Cl)cc(/C=N\NC(=O)CN2CCOCC2)cc1Cl	59246588	YGFWGUALERLEMX-IUXPMGMMSA-N	346.214	1.784	50	40	EDGB	
Cc1cc(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)nc(O)n1	84114546	QHMOJSGTIAHRTM-UHFFFAOYSA-N	346.412	1.896	50	40	EDGB	
O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)C1CC1	40498149	DCUZJTVCXRZMGL-AWEZNQCLSA-N	327.384	1.086	50	40	EDGB	
COc1ccc([C@@H]2C(C#N)=C(N)O[C@H]3NN=C(C(F)(F)F)[C@H]32)cc1	254840197	WYEWJZSHVXDDKU-JTNHKYCSSA-N	338.289	1.967	50	40	EDGB	
CC(=O)NNC(=O)N[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1	1615055197	JCEKDKRCEWREEA-CQSZACIVSA-N	344.337	1.544	50	40	EDGB	
O=C(Cn1nnc2ccccc21)N/N=C/c1ccc([N+](=O)[O-])s1	124534	FVKRFXXIJQMFAN-VGOFMYFVSA-N	330.329	1.551	50	40	EDGB	
COc1ccc2c(c1)/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N2	59472596	YFTXHWLUNOOZMM-UHFFFAOYSA-N	340.295	1.690	50	40	EDGB	
C/C(=N\NC(=O)COc1ccc(C#N)cc1)c1cc(O)ccc1O	20931890	ITRWBGBGEGBSII-YBFXNURJSA-N	325.324	1.889	50	40	EDGB	
COc1ccc2c(c1)/C(=N\NC(=O)CCc1ccccc1O)C(=O)N2	59472631	AMZHCFKVTFSLBT-UHFFFAOYSA-N	339.351	1.806	50	40	EDGB	
O=C(CCSc1ccc(F)cc1)NNC(=O)c1cccnc1O	12683866	ADTIUWZHCWVXSS-UHFFFAOYSA-N	335.360	1.870	50	40	EDGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccco2)S(C)(=O)=O)c1	408773910	TZCWDPAXMRERQT-LICLKQGHSA-N	349.412	1.813	50	40	EDGB	
CC(C)(C)CC(=O)NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3	14238031	HRLQJYNQHGXUSG-UHFFFAOYSA-N	342.399	1.540	50	40	EDGB	
C[C@H]1C[C@@H]1C(=O)OCC(=O)NNC(=O)COc1ccc(Cl)cc1	5693913	YQGCQIITIUCZSB-CABZTGNLSA-N	340.763	1.065	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccccc1	5603975	HKYOMDZLAPRZQH-UHFFFAOYSA-N	336.329	1.610	50	40	EDGB	
CCOc1ncccc1C(=O)NNC(=O)c1ccc2c(c1)OCO2	5825094	UIZRGCMYUKYTFS-UHFFFAOYSA-N	329.312	1.284	50	40	EDGB	
COc1cc(/C=N/NC(=O)COc2ccccc2C#N)ccc1O	354683	FMSJTIPFQGIKQY-VXLYETTFSA-N	325.324	1.802	50	40	EDGB	
O=C(CCCCl)NC(=S)NNC(=O)c1ccc(Cl)cc1	6506022	WOBVQAIDNSUNFW-UHFFFAOYSA-N	334.228	1.995	50	40	EDGB	
COCC(=O)N/N=C(\C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	100927761	ABVWEPDVYMITKQ-CXUHLZMHSA-N	338.320	1.071	50	40	EDGB	
O=C1CCCC[C@@H]1C[C@@]1(O)C(=O)N[C@H]2CC[C@@H](Br)C[C@H]21	5328065	CJRXUUQXBJRLPE-CYRTVHNOSA-N	344.249	1.929	50	40	EDGB	
COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccc(O)cc2)c1	13921551	XMBRRHOJYWSKRU-VCHYOVAHSA-N	343.339	1.498	50	40	EDGB	
CC(=O)Oc1ccccc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	60700	XPQJPKSFBOCJJT-UHFFFAOYSA-N	343.295	1.595	50	40	EDGB	
COc1ccccc1C(=O)NN[C@@H]1CC(=O)N(c2ccccc2)C1=O	100097144	WQCXAHNAPBXWHZ-CQSZACIVSA-N	339.351	1.262	50	40	EDGB	
CCNS(=O)(=O)C[C@]1(C)[C@@H]2CC[C@]1(C)C(=O)[C@@H]2Br	100983500	CHHKYNYNFQLRRG-CNVPUSNMSA-N	338.267	1.695	50	40	EDGB	
O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc(F)c(F)c1	3236576	HQRGIPUXZFYMSP-DJKKODMXSA-N	342.309	1.769	50	40	EDGB	
Cc1cc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c(C)o1	9112968	ORTPOIYQLKDYHL-UHFFFAOYSA-N	340.339	1.863	50	40	EDGB	
COc1ccc2oc(=O)c(C(=O)NNC(=O)c3ccncc3)cc2c1	281330	XDURIRODHREUGD-UHFFFAOYSA-N	339.307	1.271	50	40	EDGB	
COc1ccc(/C=C2\Oc3cc(OCC(=O)NN)ccc3C2=O)cc1	5268982	BNRKVWDZANTOIS-PXNMLYILSA-N	340.335	1.680	50	40	EDGB	
COC(=O)Oc1ccc(/C=N/NC(=O)c2cccnc2)cc1OC	408864254	XYRUFNDFWCBCCS-GIJQJNRQSA-N	329.312	1.999	50	40	EDGB	
CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccc(Cl)cc1	4662628	MVHMLNHFDWKKOI-VCHYOVAHSA-N	325.796	1.721	50	40	EDGB	
O=C(COc1ccccc1F)NNC(=O)[C@@H]1COc2ccccc2O1	2662494	CLNIYJPXGXHUEO-HNNXBMFYSA-N	346.314	1.192	50	40	EDGB	
COC(=O)c1ccc(Cl)c(S(=O)(=O)NNC(=O)C(C)C)c1	26532678	PRBHFWWTDLICIB-UHFFFAOYSA-N	334.781	1.092	50	40	EDGB	
COc1ccc(/C=N/NC(=O)Cn2nnc3ccccc32)cc1OC	251958	WZBFTQJKWJZPRN-VCHYOVAHSA-N	339.355	1.599	50	40	EDGB	
Cc1cc(/C=C(\C#N)C(=O)OCC(N)=O)c(C)n1C[C@H]1CCCO1	6388615	ZLQQSPUWYUEVIQ-KEQVLUGWSA-N	331.372	1.219	50	40	EDGB	
O=C(NNC(=O)[C@H]1Cc2ccccc2O1)c1ccc2c(c1)OCCO2	84581737	IUMPBBYQRIJBAT-MRXNPFEDSA-N	340.335	1.223	50	40	EDGB	
COC1=CC(=O)C([C@H](C)c2ccc(OC)cc2)=C/C1=N/NC(N)=O	17131260	KRSQYVABVBHTPJ-OIURLTOFSA-N	329.356	1.862	50	40	EDGB	
Cn1ccnc1CN1CCC(C(=O)NNC(=O)c2ccccc2)CC1	43285013	VWFCMMQCPBSUTI-UHFFFAOYSA-N	341.415	1.093	50	40	EDGB	
Cc1[nH]c(C(=O)NNC(=O)c2ccco2)c(C)c1C(=O)OC(C)C	12615326	AZSQZPQJBCNUGS-UHFFFAOYSA-N	333.344	1.865	50	40	EDGB	
CN1CCC(=NNC(=O)c2ccc3c(c2)NC(=O)C(C)(C)O3)CC1	1361083	NAGNFWKJMNGBDX-UHFFFAOYSA-N	330.388	1.608	50	40	EDGB	
COc1cccc(C(=O)N/N=C2/C(=O)Nc3c(OC)cccc32)c1	59472653	YBKCYYUQHNZCLQ-UHFFFAOYSA-N	325.324	1.790	50	40	EDGB	
O=C(NNS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccco1	7519660	WMWWHYNUIHWHSZ-UHFFFAOYSA-N	334.275	1.922	50	40	EDGB	
CCOC(=O)c1[nH]c(C)c(C(=O)NNC(=O)c2ccoc2C)c1C	8988352	UQYJWVPQSPUXCC-UHFFFAOYSA-N	333.344	1.784	50	40	EDGB	
COc1ccc(C)cc1NS(=O)(=O)c1cccc(C(=O)NN)c1	225501234	LMPBGQOQTOKXFG-UHFFFAOYSA-N	335.385	1.408	50	40	EDGB	
Cc1ccc(OCc2nc(CC(=O)NN(C)C[C@H](C)O)cs2)cc1	585087984	FLTWJFZVENCEAO-ZDUSSCGKSA-N	349.456	1.917	50	40	EDGB	
Cc1nn(C)c(F)c1/C=N/NC(=O)COc1ccc([N+](=O)[O-])cc1	252507934	WXSHZDRVLYUVQG-FRKPEAEDSA-N	335.295	1.305	50	40	EDGB	
O=C(CCl)NNC(=O)c1nc(-c2cccc(-n3cccc3)c2)no1	166041	CPILORKEYLHVMQ-UHFFFAOYSA-N	345.746	1.527	50	40	EDGB	
CCOC(=O)[C@H](CCSC)NC(=O)OCCNCCCl	4896344	YCKSWVMVHFVFHR-JTQLQIEISA-N	326.846	1.226	50	40	EDGB	
CN(C)/C=C(\C(=O)C(Cl)Cl)c1nnnn1-c1ccccc1	59663602	FWBSCQYANCAMOV-CSKARUKUSA-N	326.187	1.938	50	40	EDGB	
NC(=O)[C@@H](NNC(=O)c1ccccc1-n1cccc1)c1ccccc1	26221876	AMMSQHNJCFZSMS-KRWDZBQOSA-N	334.379	1.938	50	40	EDGB	
O=C(CBr)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	35604949	WECDKIZZGIBRKI-UHFFFAOYSA-N	347.234	1.805	50	40	EDGB	
COc1ccc(C(=O)NNC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)O)cc1	4651749	NGEVVYSYBSFGFI-LSDHHAIUSA-N	346.383	1.903	50	40	EDGB	
CNC(=O)C(=O)N/N=C/c1cccc(OC)c1Nc1ccccc1C	408707847	MDYFVSMMHQKYCW-RGVLZGJSSA-N	340.383	1.943	50	40	EDGB	
Cc1ccc(C)c(OCCC(=O)NNC(=O)Cn2nc(C)cc2C)c1	13006339	CRWBJSLUZCACOA-UHFFFAOYSA-N	344.415	1.733	50	40	EDGB	
N#CC1=C(SCC(N)=O)N[C@H](N)[C@@H](C#N)[C@H]1c1ccccc1Cl	19948527	FROLKSMEZVGXGF-FZZIBODNSA-N	347.831	1.405	50	40	EDGB	
O=C(Cc1ccccc1)NNC(=O)[C@H]1CCCN(c2ncccn2)C1	4966165	ZGAVEHOIEYLFNE-HNNXBMFYSA-N	339.399	1.083	50	40	EDGB	
O=C(CN1CCOCC1)N/N=C\c1sccc1Br	59246490	RLCJCOKDMGARNA-QPEQYQDCSA-N	332.223	1.293	50	40	EDGB	
Cn1ccnc1Sc1ccc(/C=N/NC(=O)CC#N)cc1[N+](=O)[O-]	1661653	PGIUGVXXMGOILL-RQZCQDPDSA-N	344.356	1.843	50	40	EDGB	
COC(=O)CSC1=C(C#N)[C@H](c2cccc([N+](=O)[O-])c2)CC(=O)N1	1859602	GPOVLUVQYBLCDR-NSHDSACASA-N	347.352	1.840	50	40	EDGB	
O=C(NNC(=O)c1cnccn1)c1cccc(OC[C@@H]2CCCO2)c1	27131022	NNEPXOUSUXCXPL-AWEZNQCLSA-N	342.355	1.109	50	40	EDGB	
COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccc(F)cc2)c1C	17359363	FHPUSOXWCHUXAH-UHFFFAOYSA-N	333.319	1.632	50	40	EDGB	
COc1cc(C(=O)NNC(=S)NC(C)C)ccc1OC(C)C	7679011	RLEFOESNSMPHFW-UHFFFAOYSA-N	325.434	2.000	50	40	EDGB	
CCOC(=O)[C@]1(C#N)[C@@H](c2ccccc2)[C@@]1(C#N)C(N)=C(C#N)C#N	66088254	VNPUEYKXIVLMAX-WBAXXEDZSA-N	331.335	1.627	50	40	EDGB	
C/C(=N\NC(=O)N[C@H]1CCS(=O)(=O)C1)c1oc2ccccc2c1C	98055321	CCQQRGOTTJUIJQ-HWQJWEFDSA-N	349.412	1.952	50	40	EDGB	
CC(C)(C)C(=O)Nc1nnc(CC(=O)N/N=C/c2ccco2)s1	59498817	SNLAWPQLPYKESI-OVCLIPMQSA-N	335.389	1.809	50	40	EDGB	
CN(C)c1nc(N)nc(/C(C#N)=C/c2cccc3c2OCCCO3)n1	55039614	GBGHBADDSQRQBA-FMIVXFBMSA-N	338.371	1.745	50	40	EDGB	
CCc1cc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cs1	102210891	LXNODHIEMFXRQV-NGERZBJRSA-N	334.397	1.594	50	40	EDGB	
Cc1cccc(N2C[C@@H](C(=O)NNC(=O)c3ccccc3)CC2=O)c1	408640864	KAVJPVMGMCEDPF-HNNXBMFYSA-N	337.379	1.809	50	40	EDGB	
O=C(CBr)OCCCCOC(=O)CBr	100018781	UWFWUCCZIMDIIJ-UHFFFAOYSA-N	331.988	1.643	50	40	EDGB	
Cc1cccc(OCC(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)O)c1	357359	ARKJUCMLHXMJEY-UONOGXRCSA-N	334.372	1.412	50	40	EDGB	
COC(=O)COc1ccc(/C=N\NC(=O)COc2ccccc2)cc1	58883245	ISSRCANXKVCBMP-ODLFYWEKSA-N	342.351	1.768	50	40	EDGB	
COc1cc(C=C(C#N)C#N)ccc1OCC(=O)N1CCOCC1	783843	SSGOBPHDYGNGNZ-UHFFFAOYSA-N	327.340	1.363	50	40	EDGB	
NC(=O)COc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1	409232894	SUHJLQFSMATPRD-JMIUGGIZSA-N	329.331	1.383	50	40	EDGB	
COc1cc(Cl)c(/C=N/NC(=O)CN2CCOCC2)cc1OC	13534086	WKEDIALPWYAFBJ-RQZCQDPDSA-N	341.795	1.140	50	40	EDGB	
O=C(CSc1ncn[nH]1)N/N=C/c1ccc(Br)cc1	17043935	MDJAIGFMLWHWJL-LHHJGKSTSA-N	340.206	1.810	50	40	EDGB	
O=C(NCCCl)NC1CCC(NC(=O)NCCCl)CC1	100373088	ZJBVHMDPRPAAGM-UHFFFAOYSA-N	325.240	1.374	50	40	EDGB	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1C	13252873	QHTOTNDWQCTMIN-HUUCEWRRSA-N	346.383	1.497	50	40	EDGB	
CN(C)c1ccc(/C=N/NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1	5879016	SEMXKSPIZFSRME-UDWIEESQSA-N	349.394	1.682	50	40	EDGB	
C/C(=N/NC(=O)C1CC1)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C	6186347	AUBZLZJBECSCCC-SXGWCWSVSA-N	328.332	1.734	50	40	EDGB	
C#CCN1C(=O)/C(=N/NC(=O)[C@H](O)c2ccccc2)c2ccccc21	18081060	CJQGXQRFSSFLKE-PBEQFFAXSA-N	333.347	1.220	50	40	EDGB	
COC(=O)Cc1[nH]nc2c1[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2	809482	BBOULLKVHBFVTJ-CYBMUJFWSA-N	344.758	1.997	50	40	EDGB	
O=C(CCc1ccco1)NNC(=O)CN1CCCc2ccccc21	40473722	UUHZZVCKWMHJEX-UHFFFAOYSA-N	327.384	1.812	50	40	EDGB	
COc1ccc2ccc(OC)c(/C=C(/C#N)C(=O)NC(N)=O)c2c1	409238973	XVYPYAFWKNGUQU-XFFZJAGNSA-N	325.324	1.959	50	40	EDGB	
CC(C)(Br)C(=O)NNC(=O)[C@@]1(C)C[C@H]1Br	2333982	CCWXUTKBLLCIEB-ANLVUFKYSA-N	342.031	1.481	50	40	EDGB	
Cc1n[nH]c2c1[C@@]1(C(=O)N(C(C)C)c3ccccc31)C(C#N)=C(N)O2	5453505	NCSBXKXMYUZNPU-SFHVURJKSA-N	335.367	1.846	50	40	EDGB	
COc1cc(C(=O)NNC(=O)c2ccc(C)o2)cc(OC)c1OC	9689791	LBCFEIPVYMRPKU-UHFFFAOYSA-N	334.328	1.689	50	40	EDGB	
CC(C)[C@H](NC(=O)Cc1cccs1)C(=O)N/N=C\c1ccncc1	38206154	NBTIWFLJAZECIO-YLRSXTQRSA-N	344.440	1.977	50	40	EDGB	
CC(C)N1C(=O)/C(=N/NC(=O)[C@@H](O)c2ccccc2)c2ccccc21	85637427	NYNVVOSDJFBFCU-BJMRFWQKSA-N	337.379	1.996	50	40	EDGB	
C#CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3ccccc32)C2=C1CCCC2=O	4517099	QVMHWDBLLIYMFZ-FQEVSTJZSA-N	345.358	1.493	50	40	EDGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1oc(CO)cc2=O	95691628	KXJZXGQFAURTQC-OAHLLOKOSA-N	340.335	1.749	50	40	EDGB	
CCCN1C(=O)/C(=N/NC(=O)[C@@H](O)c2ccccc2)c2ccccc21	5904499	UEVYYKCRDNYBQQ-BJMRFWQKSA-N	337.379	1.997	50	40	EDGB	
O=C(NNC(=O)[C@@H]1CCCO1)c1cccc2c3c([nH]c12)CCCC3	32261219	HFDVEWRLPAKCLE-HNNXBMFYSA-N	327.384	1.987	50	40	EDGB	
O=C(O)CCC(=O)NNC(=O)COc1ccccc1-c1ccccc1	2546321	PQANSKMUXSHZML-UHFFFAOYSA-N	342.351	1.745	50	40	EDGB	
COc1cccc(C(=O)N/N=C/c2ccc(OCC(N)=O)cc2)c1	370738	SXTLVAJIQRVWEE-VXLYETTFSA-N	327.340	1.323	50	40	EDGB	
CC(C)[C@H](NC(=O)Cc1cccs1)C(=O)N/N=C\c1cccnc1	104229183	OLWRSZKWKWNCKI-YLRSXTQRSA-N	344.440	1.977	50	40	EDGB	
O=C(N/N=C/c1ccccn1)c1c(O)n2c3c(cccc3c1=O)CCC2	1249392	BCCMBZWIPJLWKX-SRZZPIQSSA-N	348.362	1.812	50	40	EDGB	
Cc1ccc(C(=O)NCC(=O)NNC(=O)Cc2ccccc2)cc1	6602193	IYRHMVMKSWEGAY-UHFFFAOYSA-N	325.368	1.115	50	40	EDGB	
Nc1nnc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)s1	5636540	AACHCSYYXJNHNJ-UHFFFAOYSA-N	343.821	1.327	50	40	EDGB	
C/C(N)=C(\C#N)C(=O)CSc1nnc(-c2ccccc2F)n1N	6021280	OLZDLOXZQCJFLD-NTMALXAHSA-N	332.364	1.215	50	40	EDGB	
Nc1nonc1C(=O)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	3139968	JBQUMWYJOLIFFI-FRKPEAEDSA-N	342.271	1.584	50	40	EDGB	
Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NNC(=O)c1cnccn1	30816205	UJQRVFVTAJLHQD-LLVKDONJSA-N	348.790	1.975	50	40	EDGB	
CCCc1nnc(SCC(=O)NNC(=O)c2ccccc2)n1CC	7604860	PTUGCTMXEXBMCO-UHFFFAOYSA-N	347.444	1.804	50	40	EDGB	
NC(=O)CCn1cc(/C=N/NC(=O)c2cccnc2)c2ccccc21	10003731	VPXYPAREPLWOLD-SRZZPIQSSA-N	335.367	1.676	50	40	EDGB	
COc1ccc(/C=C2\SC(=S)N([C@@H]3CC(=O)OC3=O)C2=O)cc1	100746749	CFTONAZDUOGIEW-CHPNCVJKSA-N	349.389	1.739	50	40	EDGB	
O=C1CCCC[C@H]1C[C@]1(O)C(=O)N[C@H]2CC[C@@H](Br)C[C@H]21	5328066	CJRXUUQXBJRLPE-MVIRXUPPSA-N	344.249	1.929	50	40	EDGB	
COCCNC(=O)C/C(C)=N/NC(=O)C12CC3CC(CC(C3)C1)C2	100376355	VQQMBRYNNYJVOV-UDWIEESQSA-N	335.448	1.848	50	40	EDGB	
COc1ccc(/C=N/NC(=O)c2c([N+](=O)[O-])c(C)nn2C)c(OC)c1	355815	LRKYBILNLZIYHF-LZYBPNLTSA-N	347.331	1.418	50	40	EDGB	
COC(=O)COc1cccc(/C=N/NC(=O)COc2ccccc2)c1	59437063	KTUUBNGJWPWGQO-YBFXNURJSA-N	342.351	1.768	50	40	EDGB	
COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(F)c2)cc1OC	3101366	WANJCHMWMFAUCV-VXLYETTFSA-N	345.330	1.932	50	40	EDGB	
CCOC(=O)COc1ccc(/C=N/NC(C)=O)cc1Br	4545350	UWHUHHZUDLLPLH-VIZOYTHASA-N	343.177	1.861	50	40	EDGB	
CCN(CC)[C@H]1S[C@@H]2CS(=O)(=O)[C@@H](Br)[C@@H]2S1	28615235	VMYACRIMMOHSLT-BGZDPUMWSA-N	346.337	1.978	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccccc1F)c1ccc2c(c1)OCO2	7428715	FHWYEQVMNNGTET-UHFFFAOYSA-N	338.316	1.178	50	40	EDGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(C(=O)O)cc1	35363482	UYVWMFMAQSWMOO-YVLHZVERSA-N	327.296	1.986	50	40	EDGB	
CC1(CC(=O)N/N=C/c2cc(Br)ccc2O)OCCO1	29089	OYFOAGOUCLQWLF-OVCLIPMQSA-N	343.177	1.758	50	40	EDGB	
CCOC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)o1	48722	XJPKMTLMKAUMEL-CYBMUJFWSA-N	342.307	1.936	50	40	EDGB	
C=CCN(CC=C)C(=O)CSC1=C(C#N)C(C)(C)[C@H](C#N)C(=O)N1	6654282	JOYYPKUAEMUPSR-GFCCVEGCSA-N	344.440	1.951	50	40	EDGB	
COc1cc(/C=N\NC(=O)Cc2cccn2C)cc(OC)c1OC	32576887	OKMHWWYTOUOGAL-WQRHYEAKSA-N	331.372	1.744	50	40	EDGB	
COCCNC(=S)NNC(=O)Cc1cccc(C(F)(F)F)c1	42083715	FXSTZZOJRQLNOG-UHFFFAOYSA-N	335.351	1.390	50	40	EDGB	
Cn1c(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)nc2ccccc21	3578857	MKGPBWODCXGGRC-YBFXNURJSA-N	336.351	1.964	50	40	EDGB	
C/C=N/O[C@@]1(c2ccc(OC)cc2)OC(N)=C(C#N)C1=C(C#N)C#N	100234277	KDDCQOPQGVERPB-DEXWEGEESA-N	335.323	1.938	50	40	EDGB	
CCOc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN)cc1	244247	WUAIFMIGSDZQCD-FOWTUZBSSA-N	325.368	1.846	50	40	EDGB	
N/C(=N\NC(=O)c1ccc(N)cc1)c1cncc(Br)c1	46085288	UUGPJPGROJZIFG-UHFFFAOYSA-N	334.177	1.477	50	40	EDGB	
COCc1n[nH]c2c1[C@@H](c1cc(OC)cc(OC)c1)C(C#N)=C(N)O2	377178	KJFYDVGCUVVVNS-AWEZNQCLSA-N	342.355	1.791	50	40	EDGB	
COc1ccccc1NC(=O)C(=O)NNC(=O)c1ccccc1OC	4838881	UCHXRIBYJGMRIO-UHFFFAOYSA-N	343.339	1.104	50	40	EDGB	
Nc1cc(C(=O)OCC(=O)NNC(=O)c2ccccc2)ccc1Cl	6421826	DNNMNQKMAZMQCG-UHFFFAOYSA-N	347.758	1.540	50	40	EDGB	
O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1	59426171	LTVPSALHQYJNDA-OVCLIPMQSA-N	330.256	1.973	50	40	EDGB	
CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2ccoc2C)cc1	4575324	MSCMWLGLMNKEKK-UHFFFAOYSA-N	337.357	1.170	50	40	EDGB	
O=C(CN1CCCc2ccccc21)NNC(=O)c1n[nH]c2ccccc12	7949083	MEMXOOHGMMUFIX-UHFFFAOYSA-N	349.394	1.777	50	40	EDGB	
CS(=O)(=O)N1CCC[C@@H](C(=O)N/N=C/c2ccc(F)s2)C1	252482118	CYTROGRMVDXCNJ-CULDGANSSA-N	333.410	1.009	50	40	EDGB	
Cc1cc(Cl)ccc1O[C@H](C)C(=O)NNC(=O)/C=C/C(=O)O	2784217	UZUZCIOIBJNNLA-VUHVRTRXSA-N	326.736	1.204	50	40	EDGB	
COc1cc(CC(=O)OCC(=O)/C(C#N)=C(/C)N)cc(OC)c1OC	104505158	JQOFIIHMKDNLKH-BENRWUELSA-N	348.355	1.123	50	40	EDGB	
CN1CCC(=NNC(=O)c2cc(Br)ccc2O)CC1	55075786	KLELEUFECDGTGA-UHFFFAOYSA-N	326.194	1.966	50	40	EDGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(N)=O)c2C)cc1	5656662	IICPZSSQOTXQPH-VXLYETTFSA-N	328.372	1.428	50	40	EDGB	
COC(=O)c1sccc1S(=O)(=O)NNC(=O)c1cccs1	15423712	RFKJHJDYECGVMX-UHFFFAOYSA-N	346.411	1.220	50	40	EDGB	
Cc1cc(C(=O)NNC(=S)NC[C@@H]2CCCO2)c2ccccc2n1	16188719	KUVUFTSVBBDOBS-LBPRGKRZSA-N	344.440	1.831	50	40	EDGB	
O=C(NN[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O)c1cccs1	100142071	UPDGVHLBKRCCFQ-LLVKDONJSA-N	349.799	1.968	50	40	EDGB	
COCCOC(=O)/C(C#N)=C/Nc1ccnc(Br)c1	100376439	CEIUBKQRUSQBOS-CMDGGOBGSA-N	326.150	1.853	50	40	EDGB	
CC(C)OCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1O	409266198	PSJLQDBXSDWJNT-GIJQJNRQSA-N	341.795	1.427	50	40	EDGB	
C=CCOc1ccc(/C=N/NC(=O)CC2(C)OCCO2)cc1OC	408863023	OJVRGNIMBVUQHG-LDADJPATSA-N	334.372	1.863	50	40	EDGB	
Cc1c(C(=O)N/N=C/c2ccc(O)cc2O)sc2ncnc(N)c12	408972879	HGJQCACIWRCZNM-PTXOJBNSSA-N	343.368	1.757	50	40	EDGB	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(=O)O)ccc1[N+](=O)[O-]	372932	BPMRHYNJSRZFHK-VXGBXAGGSA-N	349.343	1.555	50	40	EDGB	
O=C(NNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1ccco1	32794901	MIGWABYBXSHXTF-SNVBAGLBSA-N	347.758	1.747	50	40	EDGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc(=O)[nH]c3)ccc21	12543860	YOKMOMHHRUZQIT-UHFFFAOYSA-N	339.355	1.128	50	40	EDGB	
N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)N1CCC(C(N)=O)CC1	3287029	IEDQJSAKJWWMOP-QPEQYQDCSA-N	327.340	1.046	50	40	EDGB	
C[C@@H](Sc1ncn[nH]1)C(=O)NNC(=O)c1cccc(Cl)c1	9335962	CJAYCYRNIXWNFH-SSDOTTSWSA-N	325.781	1.400	50	40	EDGB	
COCCOC(=O)/C(C#N)=C/c1ccc(N2CCOCC2)cc1OC	409242452	VCOFFJYEMHJXBP-RVDMUPIBSA-N	346.383	1.628	50	40	EDGB	
O=C(O)C(CI)CI	4264724	XISHEEFEKPJZAM-UHFFFAOYSA-N	339.898	1.557	50	40	EDGB	biogenic
CCCOc1ccc(/C=N/NC(=O)C(=O)NC(C)C)cc1OCC	3084805	NMGBSTUVJIWCTF-WOJGMQOQSA-N	335.404	1.849	50	40	EDGB	
C=CCOC(=O)C1=C(C)NC(=O)[C@@]12C(C#N)=C(N)Oc1ccccc12	4517219	DQXOPTKOUCYPGJ-SFHVURJKSA-N	337.335	1.144	50	40	EDGB	
COCc1cc(C)n(CC(=O)NN=C2CCCCC2)c(=O)c1C#N	6500556	SZWPSEXCCFTSKU-UHFFFAOYSA-N	330.388	1.611	50	40	EDGB	
COCCNC(=O)CC(=O)N/N=C/c1ccc(Cl)cc1Cl	59503537	YEVJLQITHPCRJP-CAOOACKPSA-N	332.187	1.596	50	40	EDGB	
O=C(CN1CCC[C@@H](c2ccncn2)C1)NNC(=O)c1ccccc1	58109152	UVBGHCHVEYGUMP-OAHLLOKOSA-N	339.399	1.117	50	40	EDGB	
O=C(CCl)N=C1C=CC(=[S@](=O)(O)Nc2ncccn2)C=C1	409416099	UKIQSMUWONASCN-UHFFFAOYSA-N	326.765	1.066	50	40	EDGB	
C/C(=N/NC(=O)CNC(=O)c1ccc2c(c1)OCCO2)c1ccco1	13142260	NWXMIGPSAIESGD-ODLFYWEKSA-N	343.339	1.321	50	40	EDGB	
CCc1cccc2c(/C=C(\C#N)C(=O)NC3CC3)cn(CC(N)=O)c12	6567933	ZKBJLRFUQKYIBS-MDWZMJQESA-N	336.395	1.875	50	40	EDGB	
CSc1nc(C)cc(OCC(=O)N/N=C/c2ccccc2O)n1	497082	YFNBDYXCARJKLN-LZYBPNLTSA-N	332.385	1.742	50	40	EDGB	
O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc(Cl)cc1	3458437	WWLOCEKBEDPWOI-UHFFFAOYSA-N	342.742	1.651	50	40	EDGB	
C#CCN(Cc1ccc(F)cc1)C(=O)NNC(=O)Cc1cccnc1	72271060	MMXGJWDBUORLIK-UHFFFAOYSA-N	340.358	1.639	50	40	EDGB	
COc1cccc(-n2nnc(-c3nc(C)c(C(=O)NN)s3)c2C)c1	390830219	JPMDTFJWGUBSOA-UHFFFAOYSA-N	344.400	1.620	50	40	EDGB	
Cc1c(C(=O)NNC(=O)c2ccccc2)[n+](=O)c2ccccc2n1O	575627271	IAZGKKMTHAFZSF-UHFFFAOYSA-O	339.331	1.176	50	40	EDGB	
COc1ccc(NC(=S)NNC(=O)c2csnn2)cc1OC	1775969134	YTGCLCSUFMBHDN-UHFFFAOYSA-N	339.402	1.187	50	40	EDGB	
CCOc1ccccc1/C=N/NC(=O)C(=O)NCc1cccnc1	59435525	VYUAWFYKGLYGQX-UDWIEESQSA-N	326.356	1.247	50	40	EDGB	
C[C@@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1cccnc1	13007956	FESVIVXSKDHNGY-GFCCVEGCSA-N	342.355	1.158	50	40	EDGB	
Cc1ccc(F)cc1C(=O)NNC(=O)Cc1cn2ccsc2n1	8778450	CGENKPKYBVGPMB-UHFFFAOYSA-N	332.360	1.847	50	40	EDGB	
COCc1n[nH]c2c1[C@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)O2	4870488	SOPJJOIJMPXHLH-CYBMUJFWSA-N	340.339	1.561	50	40	EDGB	
CC1=C2CC[C@H](C)CC23[C@H]2C(=O)OC(=O)[C@H]2C1[C@H]1C(=O)OC(=O)[C@@H]13	95749416	RCLQIVSRMJYTOM-MNYHXNDNSA-N	330.336	1.384	50	40	EDGB	
C[C@]1(SS[C@]2(C)CCS(=O)(=O)C2)CCS(=O)(=O)C1	16676523	ZAJGZTALSIIAKL-AOOOYVTPSA-N	330.518	1.522	50	40	EDGB	
C[C@H](Nc1cccc(Cl)c1)c1nnc(SCC(=O)NN)n1C	951726566	BTYMIUCWNUVPCS-QMMMGPOBSA-N	340.840	1.724	50	40	EDGB	
COc1cc(/C=N/NC(=O)[C@@H](C)n2nnc3ccccc32)ccc1O	368637	NQILGDNITPLVSI-VDCVXVNISA-N	339.355	1.857	50	40	EDGB	
CSc1ccc(/C=N/NC(=O)C(=O)NCc2cccnc2)cc1	59444326	IHIDFGPPKGCHPK-YBFXNURJSA-N	328.397	1.570	50	40	EDGB	
CC(C)CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1	20240348	NNIDBGHQAKBKBE-GZTJUZNOSA-N	334.376	1.928	50	40	EDGB	
N#C/C(=C/c1cn(CCC(N)=O)nc1-c1ccc(F)c(F)c1)C(=O)O	4200392	FYVFRTXARVBSBK-YHYXMXQVSA-N	346.293	1.695	50	40	EDGB	
Cc1cccc(OCC(=O)NNC(=O)c2cn3ccc(C)cc3n2)c1	19683226	UIXICUHKXGPLLD-UHFFFAOYSA-N	338.367	1.791	50	40	EDGB	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccc2ncccc2c1	72276946	IZJGHYVNEVFJIS-QGZVFWFLSA-N	349.346	1.836	50	40	EDGB	
NNC(=O)[C@H]1CN(C(=O)c2cccc(Cl)c2)c2ccccc2O1	225330280	HLMSQYHHZRTVRO-CQSZACIVSA-N	331.759	1.738	50	40	EDGB	
CCOC(=O)c1nc2c([nH]1)OC(N)=C(C#N)[C@H]2c1ccccc1F	5686421	NKYRPBSGOXBNBA-LLVKDONJSA-N	328.303	1.944	50	40	EDGB	
CCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(C)c1=O	100551219	SBRPUSVFHYFNDT-UHFFFAOYSA-N	331.372	1.585	50	40	EDGB	
O=C(O)COc1ccc(/C=N/NC(=O)c2ccccn2)cc1Cl	573112	IZLHCTBSONHQKU-QGMBQPNBSA-N	333.731	1.962	50	40	EDGB	
COc1ccc(/C=N/NC(=O)c2cc(O)c(O)c(O)c2)c(OC)c1	510257	ULHBQYPLKWMMGQ-CAOOACKPSA-N	332.312	1.585	50	40	EDGB	
CCOC(=O)COc1c(Cl)cc(/C=N/NC(C)=O)cc1OC	409020553	QKIQHVIXTCKJTR-FRKPEAEDSA-N	328.752	1.761	50	40	EDGB	
N#C/C(=C/c1ccco1)C(=O)NS(=O)(=O)N1CCc2ccccc21	98055784	XHDHJHWIYJFDIY-RAXLEYEMSA-N	343.364	1.610	50	40	EDGB	
C/C(=N\NC(=O)C[N+](C)(C)C)[C@H](CN(C)C)C(=O)Nc1ccccc1	17214964	RRZSYXWJRYGDBN-RZKQZQCBSA-O	348.471	1.001	50	40	EDGB	
O=C(N/N=C\c1ccc(O)cc1O)N/N=C\c1ccc(O)cc1O	104370462	AQGRVUSIDHAVKU-DNRQYRRUSA-N	330.300	1.176	50	40	EDGB	
COc1ccccc1C(=O)NN[C@H]1CC(=O)N(c2ccccc2)C1=O	552271	WQCXAHNAPBXWHZ-AWEZNQCLSA-N	339.351	1.262	50	40	EDGB	
O=C(Cc1cn2ccsc2n1)NNC(=S)Nc1ccccc1	12523770	ZSZWEFGOUKDXFN-UHFFFAOYSA-N	331.426	1.956	50	40	EDGB	
Cc1cccc(O[C@@H](C)C(=O)NN[C@H](C(N)=O)c2ccccc2)c1C	26222789	WPDVCUKLGZSHOW-YOEHRIQHSA-N	341.411	1.918	50	40	EDGB	
COc1cccc(C(=O)NNC(=O)c2cc(Br)c[nH]2)c1	8122822	PZDSAJATXLGOPI-UHFFFAOYSA-N	338.161	1.861	50	40	EDGB	
C=C1C(=O)O[C@@H]2/C=C(/C)CC/C=C(\C=O)[C@@H](OC(=O)C(C)C)[C@@H](O)[C@@H]12	104193449	MWYCMNPDBWRCKB-TYQZOKRQSA-N	348.395	1.878	50	40	EDGB	
C[C@H](OC[C@H]1CCCO1)C(=O)NNC(=O)c1cccc(Cl)n1	585114256	VGEKCIXJVKQRSN-VHSXEESVSA-N	327.768	1.080	50	40	EDGB	
CCN(CC)c1ccc(/C=N/NC(=O)Cc2nnc(N)s2)cc1	60148	VYILMRFXXFTEDN-LICLKQGHSA-N	332.433	1.659	50	40	EDGB	
O=C1NN=C(C(F)(F)F)/C1=C/NNC(=O)c1cccc(Cl)c1	100408837	QEYRABBIDXIJNN-YVMONPNESA-N	332.669	1.506	50	40	EDGB	
O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Oc1ccc([N+](=O)[O-])cc1	102401078	HNXMEOHZYXOHGC-KBPBESRZSA-N	344.323	1.842	50	40	EDGB	
O=C(CBr)O[C@@H]1CCC[C@H]1OC(=O)CBr	4705584	WKEITRUAGBIINU-RNFRBKRXSA-N	343.999	1.784	50	40	EDGB	
O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1c(F)cccc1Cl	3085285	GFUCUCLKLOMBNX-SEYNJHBTSA-N	327.743	1.224	50	40	EDGB	
C/C(=N\NC(=O)c1cccc(C)c1O)c1cccc(-n2cnnn2)c1	25761401	RZTPEQPRSZJBKW-XDHOZWIPSA-N	336.355	1.830	50	40	EDGB	
N#C/C(=C/c1ccc(N2CCOCC2)cc1)C(=O)N1CCOCC1	409104370	YJXWPEKYXGWYHC-SSZFMOIBSA-N	327.384	1.289	50	40	EDGB	
COc1ccccc1C(=O)NNC(=O)c1cccc(CCN(C)C)c1	1616038154	WIUXYXCPNFYEHA-UHFFFAOYSA-N	341.411	1.874	50	40	EDGB	
COc1ccc(NCC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1	584128	AGHLEUGQFBLWAD-DJKKODMXSA-N	327.340	1.986	50	40	EDGB	
O=NN(C(=O)NC1CCC(C(=O)O)CC1)C1CCC(C(=O)O)CC1	5566658	CIRPYGAREFBXOA-UHFFFAOYSA-N	341.364	1.966	50	40	EDGB	
COC(=O)c1ccc(/C=N/NC(=O)CN2Cc3ccccc3C2)cc1	8092304	IKUAATXVSJJOTI-KEBDBYFISA-N	337.379	1.939	50	40	EDGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc([N+](=O)[O-])c1O	18059576	GRGWMVJZLNKGBW-GFCCVEGCSA-N	343.299	1.559	50	40	EDGB	
CCc1nnsc1C(=O)NNC(=O)COc1cc(C)cc(C)c1	30060073	GWZCULYXTGJZBS-UHFFFAOYSA-N	334.401	1.557	50	40	EDGB	
Cc1nc2ccccn2c1C(=O)N/N=C1\C(=O)N(C)c2ccccc21	104004592	VEPXJNQUBQSGEL-HKWRFOASSA-N	333.351	1.753	50	40	EDGB	
CCc1noc(C)c1C(=O)NNC(=O)c1cc(Br)c[nH]1	23915045	OCUATRPLWIDSLJ-UHFFFAOYSA-N	341.165	1.711	50	40	EDGB	
COc1cc(NC(=S)NNC(=O)C2CC2)cc(OC)c1OC	9481892	SXAHZTVQUWLQCO-UHFFFAOYSA-N	325.390	1.440	50	40	EDGB	
COc1cc(C(=O)N/N=C\c2ccc([N+](=O)[O-])o2)cc(OC)c1OC	33285210	KQAIIWVYBULMFE-PXNMLYILSA-N	349.299	1.978	50	40	EDGB	
Nc1nnnn1CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	227149809	YALHEIASCAYYGT-REZTVBANSA-N	345.750	1.319	50	40	EDGB	
Cc1nc2c(o1)NC(N)=C(C#N)[C@]21C(=O)Nc2ccc([N+](=O)[O-])cc21	12463260	HVNNXDUMDUTTSS-HNNXBMFYSA-N	338.283	1.249	50	40	EDGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN)Cc2ccccc2)cc1	379263	GONFTEHQHRSFKT-UHFFFAOYSA-N	333.413	1.176	50	40	EDGB	
CCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1O	3009112	WSCLBVWOQLOAJH-VIZOYTHASA-N	328.166	1.131	50	40	EDGB	
CCOc1ccccc1[C@H]1CC(=O)NC(SCC(N)=O)=C1C#N	9089513	UBKWPGJNTAONSU-LLVKDONJSA-N	331.397	1.642	50	40	EDGB	
O=C(CC(=O)N/N=C/c1ccccc1F)N/N=C/c1ccccc1F	1878829	KZESBNCRKLKYQN-CLVAPQHMSA-N	344.321	1.955	50	40	EDGB	
Cc1scc(C(=O)NNC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)c1C	4651731	KKPULQRIIHFBBH-URBCHYCLSA-N	334.397	1.649	50	40	EDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1)c1cccc(F)c1	409117226	NVDNKIPTGHFXQA-WOJGMQOQSA-N	349.387	1.742	50	40	EDGB	
Cc1cc(C)nc(NNC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)n1	13014442	KQCLGTURQDUYAO-ZDUSSCGKSA-N	343.387	1.682	50	40	EDGB	
Cc1cccc(O[C@@H](C)C(=O)NN=C2CCN(C(N)=O)CC2)c1C	84219108	IWPGJWQWZJIZJQ-ZDUSSCGKSA-N	332.404	1.717	50	40	EDGB	
CNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1	408608314	HDDZJKUISXQXIB-RGVLZGJSSA-N	341.367	1.470	50	40	EDGB	
CCOC(=O)N1CCN(/C=C(\C#N)C(=O)NCc2ccccc2)CC1	30791171	HZSHYRNUTMEAQH-JQIJEIRASA-N	342.399	1.484	50	40	EDGB	
N#CCC(=O)N/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1	4199293	XKVRZOUZLOMPQF-LDADJPATSA-N	343.364	1.818	50	40	EDGB	
COc1cccc(CC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1	12989180	ZCRKNBCMGLQXNX-MRXNPFEDSA-N	342.351	1.225	50	40	EDGB	
CCOc1ccc([C@H]2C(C#N)=C(N)Oc3nc[nH]c(=O)c32)cc1OC	18062679	IPGRMIBAUCIMNX-ZDUSSCGKSA-N	340.339	1.395	50	40	EDGB	
C/C(N)=C(/C#N)C(=O)CSc1nnc(Cc2cccs2)n1C	4408170	IJFSJVCTAHFUHZ-PKNBQFBNSA-N	333.442	1.885	50	40	EDGB	
O=C(NCCc1ccccc1)C(=O)N/N=C/c1ccccc1[N+](=O)[O-]	3062185	MYEJIGHFURTOQD-XDHOZWIPSA-N	340.339	1.404	50	40	EDGB	
COc1cc(OC)c(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(OC)c1	1101046	DDRRCSLMHKOISW-WHGQRRHOSA-N	346.383	1.915	50	40	EDGB	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)NC(N)=O	409231547	LCRITAITZRDVBI-XFFZJAGNSA-N	325.280	1.747	50	40	EDGB	
NC(=O)COc1ccccc1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1	409263270	IMWPBBBWVXMFKE-NVMNQCDNSA-N	342.311	1.223	50	40	EDGB	
O=C(Nc1nc2ccccc2s1)N[C@@H]1CS(=O)(=O)C[C@H]1Cl	575424422	LARLOCXXIHYURA-VXNVDRBHSA-N	345.833	1.822	50	40	EDGB	
COC(=O)c1ccc(/C=N/NC(=O)CC(=O)NC2CCCCC2)cc1	335765	IXFONXZYRIFFCQ-XDHOZWIPSA-N	345.399	1.762	50	40	EDGB	
N#CC(C#N)=Cc1ccc(-c2ccc(S(=O)(=O)N=C(N)N)cc2)o1	13151338	POOIUUYFRGBPBS-UHFFFAOYSA-N	341.352	1.339	50	40	EDGB	
CCOC(=O)CSC(SCC(=O)OCC)=C(C#N)NC(C)=O	27562737	KTMMHELKXKGCSM-UHFFFAOYSA-N	346.430	1.408	50	40	EDGB	
NNC(=O)[C@H](Cc1ccccc1)NC(=O)NCCc1ccccc1	2403387	FJNWDXIPOMSLLO-INIZCTEOSA-N	326.400	1.130	50	40	EDGB	
CC/C(=N\NC(=O)c1cccnc1)c1ccc(OCC(N)=O)cc1	372960	XGMVGDHTJWSNSI-HMMYKYKNSA-N	326.356	1.490	50	40	EDGB	
CCOC(=O)N1CCC(NC(=O)NNC(=O)c2ccccc2)CC1	32795420	PQUCDDUKMUAUDM-UHFFFAOYSA-N	334.376	1.252	50	40	EDGB	
CN(C)c1cccc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c1	3294110	HTMGESPEJIOLOM-MRXNPFEDSA-N	341.367	1.354	50	40	EDGB	
CCc1ccc(C(=O)NNC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1	15984863	WQRYHCCYWPDVTF-UHFFFAOYSA-N	345.359	1.432	50	40	EDGB	
CN1CCN(CCC(=O)N/N=C/c2ccccc2OC(F)F)CC1	21487127	DDXMEZMWMVGDCJ-XDHOZWIPSA-N	340.374	1.376	50	40	EDGB	
COc1ccccc1C(=O)N/N=C/c1ccc(N2CCOCC2)o1	409008975	AVLUHSZENORLBR-LDADJPATSA-N	329.356	1.889	50	40	EDGB	
O=C(CCl)N(c1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1	40177578	WKCVVMXGWWQDRD-LLVKDONJSA-N	345.804	1.217	50	40	EDGB	
O=C(NCCc1ccccc1)C(=O)N/N=C/c1ccc2c(c1)OCO2	3062164	BRFCREDCMTYIPP-RGVLZGJSSA-N	339.351	1.224	50	40	EDGB	
N#CC1=C(N)Oc2nc[nH]c(=O)c2[C@@H]1c1ccc(Br)cc1	5530994	VNYLDEADZBDUPB-SNVBAGLBSA-N	345.156	1.751	50	40	EDGB	
C[C@H]1[C@@H](Br)[C@@H](Br)C[C@@H](C(=O)O)[C@H]1C(=O)O	100149756	ZLBZDHSWWOYOSK-ULQPCXBYSA-N	343.999	1.955	50	40	EDGB	
CC1(C)[C@@]2(C)NC(=O)[C@]1(C#N)C(C#N)=C(I)N2	22173273	CVZCGHPLDNFUIJ-MNOVXSKESA-N	342.140	1.142	50	40	EDGB	
C[C@@H](Br)C(=O)OCCOC(=O)[C@@H](C)Br	1707051	OBNPDQQJYLNJPU-PHDIDXHHSA-N	331.988	1.640	50	40	EDGB	
COc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(OC)c2)cc1	4838889	HZHIPJDTBPSWEB-UHFFFAOYSA-N	343.339	1.104	50	40	EDGB	
O=C(N/N=C/c1ccc(C(=O)O)cc1)C(=O)Nc1ccc(F)cc1	59515412	DXLHQMIGMLHYAN-GIJQJNRQSA-N	329.287	1.613	50	40	EDGB	
COc1ccccc1-c1nnc(SCC(=O)/C(C#N)=C(/C)N)n1N	105699022	ACADRYVVSYJXMR-LUAWRHEFSA-N	344.400	1.085	50	40	EDGB	
CCn1c(=O)c2ccccc2[nH]/c1=N\NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2	107477637	XLVJCZKFFPCKKD-SGMGOOAPSA-N	326.400	1.718	50	40	EDGB	
O=C(NNC(=O)c1ccc[nH]c1=S)c1ccc2c(c1)OCCO2	12848314	YFTAPDNRACUYMI-UHFFFAOYSA-N	331.353	1.590	50	40	EDGB	
CCOC(=O)COc1ccc(/C=N\NC(=O)c2cccnc2)cc1	33329022	ZXWDQMONBSZHGO-GRSHGNNSSA-N	327.340	1.787	50	40	EDGB	
Nc1ccc(C(=O)NN2C(=O)[C@@H](Cl)[C@H]2c2ccccc2O)cc1	5581688	NADFAJBDQOIGEK-UONOGXRCSA-N	331.759	1.810	50	40	EDGB	
CC(=O)Nc1ccccc1C(=O)C(=O)Nc1ccccc1C(=O)NN	1761190	CNOYZOSALXLFST-UHFFFAOYSA-N	340.339	1.070	50	40	EDGB	
O=C(NNC(=O)c1cnccn1)N[C@H]1CCSc2ccccc21	32795368	UVACTXTVYQXQCK-NSHDSACASA-N	329.385	1.658	50	40	EDGB	
COC(=O)[C@H]1[C@@H]2C[C@H]3[C@@H](OC(=O)[C@@]13C)[C@H]2I	4991734	BYKYYSISVSYONV-COBRNCTESA-N	336.125	1.161	50	40	EDGB	
O=C(CCc1ccc2c(c1)OCCO2)NNC(=O)c1ccccn1	8747725	IOVSEQLHUPBJRW-UHFFFAOYSA-N	327.340	1.247	50	40	EDGB	
C[C@H](Oc1ccccc1)C(=O)N/N=C/c1ccc(OCC(N)=O)cc1	4544336	PMVAFCNKVZCXDL-HSWQHBDASA-N	341.367	1.468	50	40	EDGB	
COc1cc(/C=N/NC(C)=O)cc(I)c1OC	62683703	IQWKZPXXYWOSQL-AWNIVKPZSA-N	348.140	1.778	50	40	EDGB	
N#CC1=C(N)N=C(N2CCOCC2)[C@@]1(C#N)CC(=O)c1ccccc1	66088759	CRNKZPFSJGBGCF-GOSISDBHSA-N	335.367	1.208	50	40	EDGB	
Cc1cc(CC(=O)NNC(=O)c2cccc(NC(=O)C3CC3)c2)n[nH]1	585089290	AXEOQBOOQZKIMC-UHFFFAOYSA-N	341.371	1.070	50	40	EDGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Cl)c1O	17471822	GGRPXKDICMHCGO-FRKPEAEDSA-N	325.752	1.173	50	40	EDGB	
CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(C)=O	23198856	IDFOAZZLSYXAFT-LBPRGKRZSA-N	343.836	1.359	50	40	EDGB	
CN(CC(=O)N/N=C/c1ccccc1O)S(=O)(=O)c1ccccc1	6544743	BPBJWRSXTBEHBX-GZTJUZNOSA-N	347.396	1.163	50	40	EDGB	
Cn1cccc1C(=O)NNC(=O)c1cc(Cl)c2c(c1)OCCCO2	61224903	IGRPWBYZHZPLTQ-UHFFFAOYSA-N	349.774	1.915	50	40	EDGB	
COc1ccccc1C(=O)N/N=C/c1ccc(OCC(N)=O)cc1	59445218	GDLYJKAIVADDRZ-VXLYETTFSA-N	327.340	1.323	50	40	EDGB	
O=C(CSc1ccccc1)NNC(=O)[C@H]1COc2ccccc2O1	9861690	CMKDGNRENODULR-OAHLLOKOSA-N	344.392	1.766	50	40	EDGB	
O=C(CCl)N(Cc1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1	217379183	FZGCFNWTSQEZMI-LLVKDONJSA-N	345.804	1.170	50	40	EDGB	
O=C(CC(=O)N/N=C\c1ccc(F)cc1)N/N=C\c1ccc(F)cc1	31829190	MAPYVAYHBIZRRN-JTMCVSSMSA-N	344.321	1.955	50	40	EDGB	
CC1(C)[C@@]2(C)CC[C@@]1(C(=O)NNC(=O)COc1ccccc1)OC2=O	100260561	JIEJAONKFLGRJT-ROUUACIJSA-N	346.383	1.335	50	40	EDGB	
Cn1c(CC(=O)NNC(=O)c2ccccc2F)nc2ccccc21	6650278	QNVAYLKJPZWNMO-UHFFFAOYSA-N	326.331	1.716	50	40	EDGB	
O=S1(=O)C[C@@H](Cl)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C1	134667601	FOCGRSWYSCEMEK-ZJUUUORDSA-N	344.241	1.023	50	40	EDGB	
COC(=O)Cc1[nH]nc2c1[C@H](c1ccc(F)cc1F)C(C#N)=C(N)O2	803863	IVVQNXRLRGHNSW-CYBMUJFWSA-N	346.293	1.622	50	40	EDGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](CC)[C@@H]2C1	804109	ITBLCFKBUQICBV-ZIAGYGMSSA-N	325.372	1.811	50	40	EDGB	
Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2O)cc1	2064456	VBMDMPFISDBZOO-UHFFFAOYSA-N	329.381	1.650	50	40	EDGB	
CCOC(=O)N1CCN(/C=C(\C#N)S(=O)(=O)c2ccccc2)CC1	6670237	MJUSLXMODSODFB-FYWRMAATSA-N	349.412	1.599	50	40	EDGB	
NC1=N/C(=N\NC(=O)COc2cccc(Cl)c2)c2ccccc21	5731635	FBJMUPHMMHBOAB-UHFFFAOYSA-N	328.759	1.916	50	40	EDGB	
Cc1ccc(Cn2cc(C(=O)NNC(=O)NC(C)C)ccc2=O)cc1	23136151	ZKPNEWALGBGTFY-UHFFFAOYSA-N	342.399	1.557	50	40	EDGB	
COCCNC(=S)NNC(=O)c1ccccc1Br	7062697	OFKFLSHZFHFJKU-UHFFFAOYSA-N	332.223	1.204	50	40	EDGB	
CCOC(=O)NNC(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1	48089640	QPFUZJDBJGKARH-UHFFFAOYSA-N	332.360	1.564	50	40	EDGB	
COc1ccc(CC(=O)NNC(=O)c2cc(OC)cc(OC)c2)cc1	3556754	QOYCGIRFKDPPDF-UHFFFAOYSA-N	344.367	1.716	50	40	EDGB	
Cc1nn(C)c(Cl)c1S(=O)(=O)NNC(=O)c1ccccc1F	32933541	SDLAIRBMNIGUDR-UHFFFAOYSA-N	346.771	1.144	50	40	EDGB	
O=C(NN=Cc1cccc([N+](=O)[O-])c1)[C@H]1COc2ccccc2O1	15919619	VRLGSFMSJHGVMV-OAHLLOKOSA-N	327.296	1.885	50	40	EDGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc([N+](=O)[O-])cc1O	16693928	NBXQPHKGYXVYGZ-XFFZJAGNSA-N	328.284	1.435	50	40	EDGB	
COc1cc(C(=O)NNC(=N)c2ccccn2)cc(OC)c1OC	137096	ZZCJVIPUPIPAFO-UHFFFAOYSA-N	330.344	1.367	50	40	EDGB	
CC(=O)OC[C@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]31)[C@H]2I	101577456	GKYCWSYKPXPGKN-GWRHWDGRSA-N	336.125	1.161	50	40	EDGB	
O=C(CNC(=O)c1ccccc1)NNC(=O)c1ccc2ccccc2n1	27682342	YREIMFOGWFBINY-UHFFFAOYSA-N	348.362	1.426	50	40	EDGB	
C=CCN1C(=O)/C(=N\NC(=O)c2ccc(/C=N/O)nc2)c2ccccc21	5685818	ADMIBZYSNSKAMT-NFKIQIPZSA-N	349.350	1.556	50	40	EDGB	
COc1ccc(OC)c([C@]2(F)OC(N)=C(C#N)C2=C(C#N)C#N)c1	100252794	UJXDXWXUOWHVPM-INIZCTEOSA-N	326.287	1.894	50	40	EDGB	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(C(=O)OC)cc1	98094	JTMAAMLPGIAXBA-CQSZACIVSA-N	328.324	1.728	50	40	EDGB	
COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1	499671	BSGWBMPNUFFOED-CQSZACIVSA-N	338.319	1.953	50	40	EDGB	
COc1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)NC[C@@H]1CCCO1	2801153	XQSIUSQPHSFRIF-GMMCIKNFSA-N	331.328	1.806	50	40	EDGB	
O=C(CNC(=O)c1ccccc1F)N/N=C/c1ccc2c(c1)OCO2	1952864	IXGCYANJVZKTHL-DNTJNYDQSA-N	343.314	1.435	50	40	EDGB	
O=C(COc1ccc(Br)cc1)NNC(=O)C1CCC1	3331498	GCJCXINHEMWZLS-UHFFFAOYSA-N	327.178	1.775	50	40	EDGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)NN)c2ccccc2)cc1	2285619	MCSOVTHUGWWPEI-HNNXBMFYSA-N	333.413	1.395	50	40	EDGB	
Cc1ccc(-n2c(SCC(=O)NN)nc3ccccc3c2=O)cc1	36724749	LVZNHANSGQZGBG-UHFFFAOYSA-N	340.408	1.776	50	40	EDGB	
C[C@@H](Sc1nnnn1C)C(=O)C(C#N)=C1Nc2ccccc2N1	13021835	GMIPTQGXKBUOGX-MRVPVSSYSA-N	327.373	1.533	50	40	EDGB	
O=C(Cc1ccccc1)NNS(=O)(=O)c1ccc(Cl)s1	8753617	SENXLVZPEPRADB-UHFFFAOYSA-N	330.818	1.954	50	40	EDGB	
Cc1ccc(S(=O)(=O)NNC(=O)COc2ccccc2C)cc1	4615674	VDLRGAQSRSMSQB-UHFFFAOYSA-N	334.397	1.692	50	40	EDGB	
C/C(=N\NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCC2	98055318	OLVLYPZDCZQJQT-CLXYIWAZSA-N	335.429	1.386	50	40	EDGB	
C[C@H](C(=O)N/N=C/c1ccccn1)N(c1ccccc1)S(C)(=O)=O	408908599	WMASLKDTFTYDPR-RNEAKCBISA-N	346.412	1.386	50	40	EDGB	
CC1=C2CC[C@H](C)CC23[C@H]2C(=O)OC(=O)[C@@H]2C1[C@H]1C(=O)OC(=O)[C@@H]13	95749414	RCLQIVSRMJYTOM-UOYXYGFWSA-N	330.336	1.384	50	40	EDGB	
CCOC(=O)NNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2	59768339	FARFTAZBFJRREG-UHFFFAOYSA-N	335.341	1.345	50	40	EDGB	
O=C(NNC(=O)C1(c2ccccc2)CCOCC1)c1ccncc1	69846111	JMPCEHUCIIVLKO-UHFFFAOYSA-N	325.368	1.591	50	40	EDGB	
Nc1ccc(C(=O)NN2C(=O)[C@H](Cl)[C@@H]2c2cccc(O)c2)cc1	1633071	DLROLMYUVONQJA-KGLIPLIRSA-N	331.759	1.810	50	40	EDGB	
C[C@@H]1CN(c2nc3ccccn3c(=O)c2C=C(C#N)C#N)C[C@@H](C)O1	551539	PNIVUSLVCOKLPP-CHWSQXEVSA-N	335.367	1.739	50	40	EDGB	
CC1=NN(c2ccccc2)C(=O)[C@H]1C(=S)S[C@@H]1CC(=O)OC1=O	104203783	KVUWXLFILPJQLN-PWSUYJOCSA-N	348.405	1.928	50	40	EDGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1cccc([N+](=O)[O-])c1	1951966	KQNFQBVCNKSTDL-OVCLIPMQSA-N	330.256	1.973	50	40	EDGB	
O=C(NC(=S)NNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1	2064528	XLBIHCODXKBIDK-UHFFFAOYSA-N	344.352	1.544	50	40	EDGB	
Cc1ccccc1-n1nc(C(=O)NN(C)C[C@H](C)O)c2c1CCC2	585088011	HBSASZFCWUODEM-ZDUSSCGKSA-N	328.416	1.627	50	40	EDGB	
O=C(CCl)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1	8324088	VSLONXNJKGMYAY-UHFFFAOYSA-N	343.257	1.473	50	40	EDGB	
COc1ccc(C(=O)NNC(=O)c2ccccc2F)cc1[N+](=O)[O-]	2661077	IXFRQRZECJVVRH-UHFFFAOYSA-N	333.275	1.817	50	40	EDGB	
CCC[C@H](Br)C(=O)NNC(=O)c1ccccc1[N+](=O)[O-]	3274100	RVUUWEZGFLWNJR-VIFPVBQESA-N	344.165	1.919	50	40	EDGB	
COc1ccc2c(c1)/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N2	59472597	PITCMACKNXIEHB-UHFFFAOYSA-N	340.295	1.690	50	40	EDGB	
COC(=O)C1=C2S[C@H](C)C(=O)N2C(N)=C(C#N)[C@@H]1c1ccco1	533675	FCNRYZREPKWHOQ-GMSGAONNSA-N	331.353	1.419	50	40	EDGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccncc2)cc1Cl	58884820	LQLXISNBORVKDP-GIJQJNRQSA-N	332.747	1.832	50	40	EDGB	
C/C(CC(=O)Nc1cccc(C)n1)=N\NC(=O)c1ccc(O)cc1O	4124013	PZNNQHVONCLDQM-RGVLZGJSSA-N	342.355	1.936	50	40	EDGB	
NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1	4278846	ANLGFZQJSJWQCD-CQSZACIVSA-N	333.413	1.230	50	40	EDGB	
Cc1ccccc1[C@@H](O)[C@H](I)S(C)(=O)=O	96519201	XQCSUUNWCNCHRT-NXEZZACHSA-N	340.182	1.834	50	40	EDGB	
Cc1ccccc1C(=O)NNC(=O)[C@@H]1CCCN(c2ncccn2)C1	1357800	WOXAQZDRXWZOPT-CQSZACIVSA-N	339.399	1.463	50	40	EDGB	
O=C(NCCCl)Nc1nc(O)ncc1I	1585761	SLXNSESJWSXWBT-UHFFFAOYSA-N	342.524	1.147	50	40	EDGB	
COc1ccc(NCC(=O)NNC(=O)[C@@H]2CC2(Cl)Cl)cc1	12543170	BMZJRBIHCBMKJD-JTQLQIEISA-N	332.187	1.448	50	40	EDGB	
CCOC(=O)N1CCN(C(=O)NNC(=O)c2ccc(C)cc2)CC1	8884145	RXVCFCBTOHRIJV-UHFFFAOYSA-N	334.376	1.124	50	40	EDGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2F)c1C	408970475	IUAILEGUKIOSLV-SRZZPIQSSA-N	342.374	1.986	50	40	EDGB	
NC(=O)COc1ccc(/C=N\NC(=O)COc2ccccc2)cc1	83318317	YUHKFEOFXWINRD-GRSHGNNSSA-N	327.340	1.080	50	40	EDGB	
O=C(Nc1nc2ccccc2s1)N[C@H]1CS(=O)(=O)C[C@@H]1Cl	575424419	LARLOCXXIHYURA-CBAPKCEASA-N	345.833	1.822	50	40	EDGB	
Cc1ccc(C(=O)C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1	29896788	OYZIBBCBHKLZSD-OAHLLOKOSA-N	340.335	1.165	50	40	EDGB	
NNC(=O)[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2s1	41154996	NZTGDZVZIANZFA-CYBMUJFWSA-N	326.381	1.757	50	40	EDGB	
CC[C@@H](NNC(=O)Cc1ccc(OC)cc1)C(=O)Nc1cc(C)on1	32853656	WKFYHPDVOKJCRP-CQSZACIVSA-N	346.387	1.572	50	40	EDGB	
C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1ccc([N+](=O)[O-])c(C)c1	25581677	JXRCNHYIBFVXGQ-OQLLNIDSSA-N	347.291	1.209	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)CSc2nc(C(C)C)n[nH]2)cc1	9953554	YRVKUSZJWHQCRG-UHFFFAOYSA-N	333.417	1.790	50	40	EDGB	
Cc1ccc2nc(Cl)c(/C=N/NC(=O)c3cccnc3)c(=O)n2c1	3169088	OMNKAJFRXBAHNT-UFWORHAWSA-N	341.758	1.815	50	40	EDGB	
COCCNC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)CC(=O)N1	6441118	SCKUPCPFVCEGGW-CYBMUJFWSA-N	345.424	1.521	50	40	EDGB	
COC(=O)c1ccc(OCC(=O)N/N=C/c2ccccc2O)cc1	551812	PVYYJSUTYAAOBD-VCHYOVAHSA-N	328.324	1.708	50	40	EDGB	
COc1ccc(C(=O)NNC(=O)CCC(=O)NC2CCCCC2)cc1	6170386	PKMJZLFKVOHAPZ-UHFFFAOYSA-N	347.415	1.685	50	40	EDGB	
NNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1cccs1	95472022	BSLILQRRYBPWOQ-DHZHZOJOSA-N	332.341	1.417	50	40	EDGB	
CC1=C2CC[C@@H](C)CC23[C@H]2C(=O)OC(=O)[C@H]2C1[C@H]1C(=O)OC(=O)[C@H]13	169797346	RCLQIVSRMJYTOM-QFLJZJKWSA-N	330.336	1.384	50	40	EDGB	
CCOc1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1	5465048	YBNPVQRUDANMOW-DEDYPNTBSA-N	325.368	1.852	50	40	EDGB	
C[C@H](OC(=O)CBr)[C@H](C)OC(=O)CBr	1674801	XNOGFVKAYPLYHY-WDSKDSINSA-N	331.988	1.640	50	40	EDGB	
Cc1ccc(NC(=S)NNC(=O)CCn2cc([N+](=O)[O-])cn2)cc1	375182	CCVCCOYCXUKNIX-UHFFFAOYSA-N	348.388	1.508	50	40	EDGB	
O=C(CCOc1ccccc1)NNC(=O)[C@@H]1COc2ccccc2O1	3292568	ONGUYUNYIQGRKZ-INIZCTEOSA-N	342.351	1.443	50	40	EDGB	
CC(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1cc2c(s1)CCCCC2	89930499	KBMGSVGYDJZUBJ-CYBMUJFWSA-N	349.456	1.789	50	40	EDGB	
COc1cccc(/C=N/NC(=O)c2ccccn2)c1O[C@@H](C)C(=O)O	409228978	HZSDLFYOCYNIBN-VSMYLPJWSA-N	343.339	1.706	50	40	EDGB	
COc1cc(I)cc(/C=C(\C#N)C(N)=O)c1	408865752	FDEOGRBBWRUKNW-KRXBUXKQSA-N	328.109	1.692	50	40	EDGB	
C[C@]1(C(=O)Nc2ccc(N3CCNCC3)cn2)C[C@@H]1Br	1616038290	FJVPTOUQRVJMJW-FZMZJTMJSA-N	339.237	1.603	50	40	EDGB	
C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1	5494605	LLCIHDGROZEXKW-HSFOFRNISA-N	328.332	1.482	50	40	EDGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccncc2)S(C)(=O)=O)c1	20207691	MQDPLDDMDDWDKO-WOJGMQOQSA-N	346.412	1.306	50	40	EDGB	
CN(C)c1ccc(/C=N/NC(=O)c2ccc(-n3cnnn3)cc2)cc1	6510461	AOPRJLYAVWDNNK-WOJGMQOQSA-N	335.371	1.492	50	40	EDGB	
O=C(CCl)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1	9738418	ZENJHLKSCRYIBJ-IZZDOVSWSA-N	328.821	1.370	50	40	EDGB	
C/C(=N\OCC(=O)N/N=C1\C(=O)Nc2ccccc21)c1cccs1	4953140	ZHTOSVPNQSAKHU-KEBDBYFISA-N	342.380	1.961	50	40	EDGB	
COc1ccc(C[C@@H](N)C(=O)O)cc1N(CCCl)CCCl	5854263	ISBKXKSWUGYEPC-LLVKDONJSA-N	335.231	1.934	50	40	EDGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1O)[C@@H]1COc2ccccc2O1	13563435	AUKIOJCFYGWINJ-QTISIFFUSA-N	343.295	1.591	50	40	EDGB	
Cc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)O	357356	FQJWJPZPMYPOQV-CHWSQXEVSA-N	334.372	1.412	50	40	EDGB	
O=C(NN1C(=O)[C@@H](Cl)[C@H]1c1cccc(O)c1)c1ccccc1O	1633526	WOBGAHDETZNABX-UONOGXRCSA-N	332.743	1.934	50	40	EDGB	
COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccccc2C)cc1	4838856	CZCYLJYSNPQHJF-UHFFFAOYSA-N	327.340	1.403	50	40	EDGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc(N(C)CCO)cc2)cc1	7009779	JPCXFGHAPOEDSQ-FYJGNVAPSA-N	340.427	1.986	50	40	EDGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccncc2)cc1	565913	MCXSHPASSOZHPL-YBFXNURJSA-N	327.340	1.787	50	40	EDGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2)cc1OC	59459663	AMAXVUPLDUQWER-WOJGMQOQSA-N	327.340	1.793	50	40	EDGB	
CC(=O)N[C@@H](C(=O)NNC(=O)[C@@H](C)Oc1cccc(C)c1C)C(C)C	6983752	KHAKWWUACHRAQK-CZUORRHYSA-N	349.431	1.379	50	40	EDGB	
CCCCCC(=O)NNC(=O)c1c(O)n(C)c2ccccc2c1=O	5732135	JAKGHVBCRBZGGV-UHFFFAOYSA-N	331.372	1.585	50	40	EDGB	
COc1ccc(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)cc1OC	11335536	HCPGPKXOLKQGMR-YRNVUSSQSA-N	326.360	1.601	50	40	EDGB	
C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1cc(Cl)ccc1O	5480063	ZLAWGAAZURQYJH-VIZOYTHASA-N	338.711	1.351	50	40	EDGB	
COC(=O)c1ccc(N(C(=O)CCl)[C@H]2CCS(=O)(=O)C2)cc1	40177609	YLFCASQGFIRGCW-LBPRGKRZSA-N	345.804	1.232	50	40	EDGB	
O=C(N/N=C\c1ccc(O)cc1)C(=O)Nc1ccccc1C(=O)O	95471868	GFFUTLFHZOGJQP-MFOYZWKCSA-N	327.296	1.179	50	40	EDGB	
O=C(NN=C/C=C/c1ccco1)C(=O)N/N=C\C=C\c1ccco1	257345360	XDVIARJIBOIXOW-GPSRVHMISA-N	326.312	1.803	50	40	EDGB	
CN(C)c1ccc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)cc1	3033924	RYPPDOQVQHXGES-XDHOZWIPSA-N	349.398	1.556	50	40	EDGB	
COc1ccc(C(=O)NNC(=O)c2ccccc2OC)c(OC)c1	289969	GMQHJORVZLSCSQ-UHFFFAOYSA-N	330.340	1.787	50	40	EDGB	
N#CCCCN1C(=O)/C(=N/NC(=O)c2cccnc2)c2ccccc21	6231325	CONORHGZPMTIDA-LTGZKZEYSA-N	333.351	1.866	50	40	EDGB	
O=C(NNC(=S)NC1CCCCC1)[C@@H]1COc2ccccc2O1	5604805	IYCBURWCJWRQTB-AWEZNQCLSA-N	335.429	1.654	50	40	EDGB	
NC(=O)Cn1cc(/C=N/NC(=O)c2ccc(O)cc2)c2ccccc21	9265668	YIHGZSBGDKKZGQ-AWQFTUOYSA-N	336.351	1.596	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccc2c(c1)OCCCO2)C1CCCC1	29048808	RDVCUBJLNRVIKF-UHFFFAOYSA-N	340.401	1.348	50	40	EDGB	
COc1ccc(NS(=O)(=O)c2ccsc2C(=O)NN)cc1	96511591	BSVNQJVRFNGGKL-UHFFFAOYSA-N	327.387	1.161	50	40	EDGB	
CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)COc2cccc(C)c2)c1C	9613926	QNQDCAXDSYRUAL-UHFFFAOYSA-N	343.383	1.983	50	40	EDGB	
CC(=O)N(/N=c1/oc(=O)[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1	85877375	ZWFULRAOWOROEI-OBGWFSINSA-N	340.295	1.898	50	40	EDGB	
COc1cc(-c2nnc3n2NC(N)=C(C#N)S3)cc(OC)c1OC	20738692	YHAVCFCINRNAPJ-UHFFFAOYSA-N	346.372	1.271	50	40	EDGB	
COC[C@@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCc2cn[nH]n2)c1C	96035393	COEZXBYHGYZJCX-BYQGBLLGSA-N	342.403	1.654	50	40	EDGB	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1	3350151	MOPYQTAYOSIIGM-KBPBESRZSA-N	334.372	1.412	50	40	EDGB	
CC(=O)OC[C@H]1[C@@H]2C[C@H]3[C@H](OC(=O)[C@H]13)[C@H]2I	4114150	GKYCWSYKPXPGKN-COQVWMOOSA-N	336.125	1.161	50	40	EDGB	
Cn1c(=O)n(C)c2cc(NC(=O)CI)ccc21	408530999	JZMPOYHHPHSOMS-UHFFFAOYSA-N	345.140	1.251	50	40	EDGB	
CC(=O)c1ccc(N(C(=O)CCl)[C@H]2CCS(=O)(=O)C2)cc1	40177635	XEQQPINKGGWCHP-ZDUSSCGKSA-N	329.805	1.648	50	40	EDGB	
CCC[C@@H](Br)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	3212485	FOXZLTNTXSXKGV-SNVBAGLBSA-N	344.165	1.919	50	40	EDGB	
O=C1[C@H]2[C@@H]3C[C@@H]4[C@H]2C(=O)[C@H](Br)[C@H]4[C@H]3[C@H]1Br	100587854	ASRUXQHQIUKJHH-MNDJGOQDSA-N	334.007	1.793	50	40	EDGB	
O=C(NCCCCl)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1	4976087	KGUHWTZKDPZIIO-CYBMUJFWSA-N	326.799	1.962	50	40	EDGB	
O=C(Cc1ccccc1F)NNC(=O)[C@H]1COc2ccccc2O1	7406595	UMUREUCBNHCLPG-OAHLLOKOSA-N	330.315	1.356	50	40	EDGB	
O=C(NN[C@@H]1CC(=O)N(c2ccccc2Cl)C1=O)c1ccccc1	100106890	UELDDNXZCLTEEA-CYBMUJFWSA-N	343.770	1.907	50	40	EDGB	
NC(=O)COc1cccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c1	409268735	YIXHLGUZBFQETN-NVMNQCDNSA-N	342.311	1.223	50	40	EDGB	
NC(=O)[C@@H]1CC(C(=O)NNc2ccc(F)cc2)=NN1c1ccccc1	40062202	MHZZMTCKWCBSBV-HNNXBMFYSA-N	341.346	1.389	50	40	EDGB	
O=C(NN[C@@H]1CC(=O)N(c2ccccc2F)C1=O)c1ccccc1	100129459	FMLFISVZBLUAIG-CYBMUJFWSA-N	327.315	1.392	50	40	EDGB	
COC(=O)c1ccc(/C=N/NC(=O)C(=O)Nc2cccc(F)c2)cc1	3096320	CLYWRRZTYKWJEC-VXLYETTFSA-N	343.314	1.701	50	40	EDGB	
O=C(CN1CCN(c2ccccc2)CC1)NNC(=O)c1cccs1	12534138	UPOIQYWGHZXWEK-UHFFFAOYSA-N	344.440	1.331	50	40	EDGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(C)o2)cc1	3303965	YATSZODSFOCAAL-LICLKQGHSA-N	349.412	1.667	50	40	EDGB	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCCn1ccnc1	12971009	UMSNOTULUFNTKK-GXDHUFHOSA-N	325.328	1.905	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccccc1	8944858	YRHRFZRCEHBLSB-UHFFFAOYSA-N	349.368	1.473	50	40	EDGB	
Cc1n[nH]c2c1[C@@]1(C(=O)Nc3ccc(Cl)cc31)C(C#N)=C(N)O2	9244267	IVJCZSQDWZMANR-HNNXBMFYSA-N	327.731	1.696	50	40	EDGB	
O=C(/C=C/c1ccccc1)NNC1=NS(=O)(=O)c2ccccc21	337885	ZZRDINJRCNXHIQ-ZHACJKMWSA-N	327.365	1.470	50	40	EDGB	
CCOC(=O)CCC(=O)NNC(=O)COc1ccc(Cl)cc1	1794711	VUWGGKFRLFILQM-UHFFFAOYSA-N	328.752	1.210	50	40	EDGB	
COc1ccc(/C(=N\NC(N)=O)[C@H](O)c2ccc(OC)cc2)cc1	5720583	TZHQPEMKTWQOSH-ORMOWBNMSA-N	329.356	1.810	50	40	EDGB	
C/C(CC(=O)NCc1ccco1)=N\NC(=O)COc1ccccc1	100510194	CEQGGAAFPJNDOS-CPNJWEJPSA-N	329.356	1.857	50	40	EDGB	
C[C@H](Cc1ccccc1)NC(=O)CCNNC(=O)c1ccncc1	1678306	FWCDNFDSSSIPPN-CQSZACIVSA-N	326.400	1.454	50	40	EDGB	
COc1ccc(C(=O)NNC(=O)C(=O)Nc2cccc(C)c2)cc1	4838861	PMUSPPWZEFEJGL-UHFFFAOYSA-N	327.340	1.403	50	40	EDGB	
Cc1nnc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)[nH]1	7604831	SSTYPYBMHBSJFL-UHFFFAOYSA-N	325.781	1.320	50	40	EDGB	
Cc1c(C(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)sc(N)c1C#N	36024597	XPDHMPIMKYFJMA-UBKPWBPPSA-N	345.340	1.888	50	40	EDGB	
Cc1cc(C(=O)O)cc(S(=O)(=O)NNC(=O)c2ccco2)c1C	13078788	YXKVYMMIWVYZLY-UHFFFAOYSA-N	338.341	1.218	50	40	EDGB	
O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1cccc(O)c1	408972818	FXQYJIPQECOCJE-YODDIOPGSA-N	337.379	1.858	50	40	EDGB	
CCOc1ccc(/C=N/NC(N)=O)cc1I	408905383	YDXASTPHBMVQKS-AWNIVKPZSA-N	333.129	1.692	50	40	EDGB	
COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Cl)c1OC	195752409	AFVJAHPDTOWOAK-MFOYZWKCSA-N	341.795	1.140	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccc2onc(Cl)c2c1)C1CCC1	585119085	PVKCESYQSHDBHO-UHFFFAOYSA-N	329.765	1.591	50	40	EDGB	
CCOC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)o1	48721	XJPKMTLMKAUMEL-ZDUSSCGKSA-N	342.307	1.936	50	40	EDGB	
COc1cc(C2C(C#N)=C(N)SC(N)=C2C#N)cc(OC)c1OC	2196999	BLTYMNUOXQGXAI-UHFFFAOYSA-N	344.396	1.931	50	40	EDGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(S(=O)(=O)O)o2)cc1	1837601	PNLXUOZQOMNFPA-OVCLIPMQSA-N	338.341	1.364	50	40	EDGB	
O=C1OC(=O)[C@]2(Br)[C@H]3C=C[C@@H](CC3)[C@@]12Br	104184007	ZUVPNXWECWMJLW-DWAQLAQLSA-N	335.979	1.933	50	40	EDGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1ccc2c(c1)OCO2	409361312	GWUWZIBTJWDUJG-GRSHGNNSSA-N	340.335	1.879	50	40	EDGB	
COC(=O)c1ccc(OCC(=O)N/N=C\c2ccccc2O)cc1	85936267	PVYYJSUTYAAOBD-ZDLGFXPLSA-N	328.324	1.708	50	40	EDGB	
N#CC(C#N)=C(N)[C@@]1(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)C1(C#N)C#N	6668816	NCZQCUSCNABXGS-XJKSGUPXSA-N	329.279	1.496	50	40	EDGB	
NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1	3186059	VSUVXGKMPBJUDG-UHFFFAOYSA-N	325.777	1.744	50	40	EDGB	
COCC(=O)NNc1nc2ccccc2c(=O)n1CCCOC(C)C	65493129	WBFPLHWQHJQFRY-UHFFFAOYSA-N	348.403	1.301	50	40	EDGB	
O=C(CCl)N(c1ccc(Cl)cc1)[C@@H]1CS(=O)(=O)C[C@H]1O	40177676	XQYGMWNCONMLBV-GHMZBOCLSA-N	338.212	1.070	50	40	EDGB	
N#CC1=C(N)Oc2nc(=S)[nH]c(O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1	17197547	MDCZVRCERQQQIE-SECBINFHSA-N	343.324	1.971	50	40	EDGB	
CCNC(=S)NNC(=O)c1nn(CC(C)C)c(=O)c2ccccc12	2655311	CSFOEFCLLXCBDN-UHFFFAOYSA-N	347.444	1.181	50	40	EDGB	
C[C@@H](CCl)Cn1c(Br)nc2c1c(=O)[nH]c(=O)n2C	4314852	GIRQDACBYWLJRC-YFKPBYRVSA-N	335.589	1.061	50	40	EDGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(O)cc1	7813003	OGVNAACWEZNNRN-WOJGMQOQSA-N	327.340	1.880	50	40	EDGB	
CC1=C(C#N)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OCCO)=C(C)N1	59231267	FNWPRDDWNFKMLM-INIZCTEOSA-N	343.339	1.889	50	40	EDGB	
COc1ccnc(NNC(=O)CCC(=O)c2ccc(F)cc2F)n1	44977339	BEIJAUIXTVXWCS-UHFFFAOYSA-N	336.298	1.870	50	40	EDGB	
Cc1ccc(NC(=O)CCC(=O)NNC(=O)CCC(=O)O)c(C)c1	4508626	ZYBUKMFSURODTI-UHFFFAOYSA-N	335.360	1.034	50	40	EDGB	
O=C(CN1CCCCCC1=O)N/N=c1/c(=O)c2cccc3cccc1c32	6956671	AIZFEJIDCQZGIK-ZBJSNUHESA-N	349.390	1.563	50	40	EDGB	
C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1ccc(C)c([N+](=O)[O-])c1	25581720	WQSVFJFRLFKHIS-OQLLNIDSSA-N	347.291	1.209	50	40	EDGB	
C[C@H](C(=O)N/N=C/c1cccnc1)N(c1ccccc1)S(C)(=O)=O	408925188	NKUKCSKJSGAHLV-RNEAKCBISA-N	346.412	1.386	50	40	EDGB	
O=S(=O)(Nc1ccccc1-n1cnnn1)[C@H]1CCCC[C@@H]1Cl	65553934	ZWMBCEURGNNNKZ-GWCFXTLKSA-N	341.824	1.954	50	40	EDGB	
Cc1cc(NC(=O)C(C)(C)CCl)n(-c2nc3c(c(=O)[nH]2)CCC3)n1	7422553	RCJLHIOGOGJSDM-UHFFFAOYSA-N	349.822	1.956	50	40	EDGB	
CC(C)CNC(=S)N(C)NC(=O)CSc1nncn1C1CC1	36390502	NSAWIIIIWGUYJL-UHFFFAOYSA-N	342.494	1.199	50	40	EDGB	
CCc1ccc(C(=O)NNS(=O)(=O)c2cccc(C(=O)O)c2)cc1	13360457	GISBPJQJQFCCQX-UHFFFAOYSA-N	348.380	1.571	50	40	EDGB	
O=C(NNC(=O)c1cnn(-c2cccnc2)c1)c1ccc(Cl)cc1	95965728	AILXSTRYIPCJFW-UHFFFAOYSA-N	341.758	1.996	50	40	EDGB	
O=C(O)c1ccc(/C=N\NC(=O)[C@H]2COc3ccccc3O2)cc1	31870174	AKBHTPYSARLOIW-FNMPFJKNSA-N	326.308	1.675	50	40	EDGB	
COc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)ccc1O	3062171	QTVJTZGLGBCMOG-UDWIEESQSA-N	341.367	1.210	50	40	EDGB	
CCn1c(SCC(=O)NN)nnc1-c1ccc(OC)c(OC)c1	36724740	LKNYJXWAIFFBIC-UHFFFAOYSA-N	337.405	1.064	50	40	EDGB	
C/C(Cn1nc([N+](=O)[O-])cc1C)=N\NC(=O)c1ccc(O)cc1O	482967	WLJVFYNDQJWNJW-OVCLIPMQSA-N	333.304	1.317	50	40	EDGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1O)c1ccc2c(c1)OCCO2	16384151	SINYNKZJCFBDDT-MFOYZWKCSA-N	343.295	1.836	50	40	EDGB	
COCCCNC(=O)/C(C#N)=C/c1cc(OC)c(O)c([N+](=O)[O-])c1	16440584	CEPFUERGNYSPCU-IZZDOVSWSA-N	335.316	1.369	50	40	EDGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(OC)c1O	82448	QVROFUWEHUQXAT-ZDUSSCGKSA-N	328.328	1.659	50	40	EDGB	biogenic,in-vitro
O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C\c1ccncc1	31830149	NATOGFUQGXPNGR-STZFKDTASA-N	337.427	1.350	50	40	EDGB	
O=C(NNC(=O)c1ccccc1C(=O)O)c1ccc([N+](=O)[O-])cc1	360867	IJXJAKVDKKSAED-UHFFFAOYSA-N	329.268	1.368	50	40	EDGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1O)c1cccc([N+](=O)[O-])c1	1951962	NNSPNVCNDUWKJU-OVCLIPMQSA-N	330.256	1.973	50	40	EDGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)CC)ccc1OCC(N)=O	408819946	ZNQSEDDBXIBTRD-ZBQKXELDSA-N	345.399	1.771	50	40	EDGB	
Cc1cccc(O[C@H](C)C(=O)NN[C@H](C(N)=O)c2ccccc2)c1C	26222788	WPDVCUKLGZSHOW-PBHICJAKSA-N	341.411	1.918	50	40	EDGB	
COc1ccc([C@H]2CC(=O)NC(SCC(N)=O)=C2C#N)cc1OC	349852	ZQFFQBCDBJNGBW-SNVBAGLBSA-N	347.396	1.261	50	40	EDGB	
O=C(COc1ccccc1F)NNC(=O)c1cccc([N+](=O)[O-])c1	4960323	KCWPKXWTRILDPP-UHFFFAOYSA-N	333.275	1.574	50	40	EDGB	
C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OC)c1OCC(=O)O	59302349	ICTOCPHJUNYXPY-ZSOIEALJSA-N	344.367	1.882	50	40	EDGB	
O=C1NCCC[C@@H]1C(=O)N/N=C/c1cc(Br)ccc1O	5670508	KHMPLNXXEAAULJ-NPVNMOQSSA-N	340.177	1.131	50	40	EDGB	
Cc1ccc(S(=O)(=O)NNC(=O)c2cc(C)c(C)cc2N)cc1	1699627	BHWTXAACUSJOBG-UHFFFAOYSA-N	333.413	1.817	50	40	EDGB	biogenic
N#C/C(=C\c1cnn(-c2ccccc2)c1)c1nn(CCO)c(N)c1C#N	5738773	WBVNCIGXAJGAKP-RIYZIHGNSA-N	345.366	1.579	50	40	EDGB	
O=C(N/N=C/[C@H]1C[C@@H]2C=C[C@@H]1C2)C(=O)N/N=C/[C@H]1C[C@@H]2C=C[C@H]1C2	104168086	NGTNPOWMSTVRGR-ZYJDUKIASA-N	326.400	1.615	50	40	EDGB	
Cn1cccc1CC(=O)NNS(=O)(=O)c1ccc(Cl)cc1F	3396559	RUXRPRRZZDVVRS-UHFFFAOYSA-N	345.783	1.370	50	40	EDGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1cccc([N+](=O)[O-])c1O	409076653	BJUOQOBGZHHECC-VIZOYTHASA-N	346.255	1.678	50	40	EDGB	
O=C(N/N=C\c1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])ccc1O	408879230	BLORZQKKMFHZSE-APSNUPSMSA-N	329.268	1.793	50	40	EDGB	
C[C@H](CC(=O)O)CC(=O)NNC(=O)c1ccccc1Br	26807901	DWBGNXSCHXETEQ-QMMMGPOBSA-N	343.177	1.711	50	40	EDGB	
Cc1ccc(-n2cnnc2SCC(=O)NNC(=O)C(C)C)cc1	32673640	UMYJZIVQPURPFZ-UHFFFAOYSA-N	333.417	1.471	50	40	EDGB	
C/C(NNC(=O)[C@H](C)Cc1ccccc1)=C1/C(=O)NC(=O)SC1=O	95101236	YREYWOUBTKUYOJ-UUOLZROSSA-N	347.396	1.270	50	40	EDGB	
COC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2N)cc1	573177	GKGQPAFVBDLICQ-VXLYETTFSA-N	327.340	1.585	50	40	EDGB	
COc1ccc2c(c1OC)C(=O)O[C@@H]2NNC(=O)c1ccccc1O	5375399	QNJLXSLSIKISDI-INIZCTEOSA-N	344.323	1.513	50	40	EDGB	
COc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)ccc1O	5515694	LHSIIRVCTBSGCC-MKFNJMOCSA-N	341.367	1.728	50	40	EDGB	
BrCCO[C@@H]1OCCO[C@H]1OCCBr	3178237	OFJNZCVVDQGMDN-HTQZYQBOSA-N	334.004	1.508	50	40	EDGB	
O=C(Cn1nnc(-c2ccccc2)n1)N/N=C\c1c[nH]c2ccccc12	55253412	MPXYWJURDSCOEF-JAIQZWGSSA-N	345.366	1.972	50	40	EDGB	
O=C(O)[C@H]1C[C@@H](Br)[C@@H](Br)C[C@H]1C(=O)O	5103423	XXADRWGJEKUZPR-GUCUJZIJSA-N	329.972	1.709	50	40	EDGB	
O=C1OC(=O)[C@H]2[C@H]1[C@@]13CCCC1=C1CC[C@@]34C(=O)OC(=O)[C@@]43C[C@]123	103836197	SCXMMDDLZBZWFH-ZLNMOQKWSA-N	326.304	1.036	50	40	EDGB	
O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1occc1-c1ccccc1	70724144	OJEBZIMALAKJKR-GFCCVEGCSA-N	348.380	1.142	50	40	EDGB	
CCn1nc(C(=O)NNC(=O)c2ccoc2C)c2ccccc2c1=O	5823786	XPLWZAICEJMXHX-UHFFFAOYSA-N	340.339	1.393	50	40	EDGB	
C[C@@H](OC(=O)c1ccccc1O)C(=O)NNC(=O)c1ccccc1	7747042	GHYJFEOMGFTPBK-LLVKDONJSA-N	328.324	1.399	50	40	EDGB	
Cc1cc(C(=O)NNC(=O)CNC(=O)c2ccccc2F)c(C)o1	8278655	WZTFAKMPGHEOEJ-UHFFFAOYSA-N	333.319	1.227	50	40	EDGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(OC)c1O	82439	QVROFUWEHUQXAT-CYBMUJFWSA-N	328.328	1.659	50	40	EDGB	biogenic,in-vitro
CCOc1ccccc1[C@@H]1C(C#N)=C(S)NC(=O)[C@@H]1C(=O)OC	127706	XOZPMVQVWPEEBG-CHWSQXEVSA-N	332.381	1.753	50	40	EDGB	
O=C(NNC(=S)NC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1	2690692	UCGRCMUZDPSAQZ-UHFFFAOYSA-N	344.352	1.544	50	40	EDGB	
O=C(O)[C@@H]1[C@@H]2C[C@@H]([C@@H](Br)[C@H]2Br)[C@@H]1C(=O)O	103610435	HECPLCNVJSYLGU-GIDHVPLMSA-N	341.983	1.565	50	40	EDGB	
Cc1cc(=O)oc(C)c1C(=O)NNC(=O)[C@]1(C)C[C@H]1Br	2297423	SPNAMQGBHNPYRL-AMIZOPFISA-N	343.177	1.191	50	40	EDGB	
CN(C)N(C(=O)/C=C/c1cccc(F)c1)[C@H]1CCS(=O)(=O)C1	8855592	QNEZLKNFCRMAHJ-UZYOAWRESA-N	326.393	1.331	50	40	EDGB	
CC[C@@H](C)NC(=O)C/C(C)=N/NC(=O)COc1ccc(OC)cc1	4387206	KUIVGWNMEIRNFC-MCMJHOFTSA-N	335.404	1.871	50	40	EDGB	
COc1cc([C@@H]2C(C#N)=C(O)NC(=O)[C@H]2[n+]2ccccc2)ccc1O	4551272	DHMDSAYZFPTYPT-CVEARBPZSA-O	338.343	1.436	50	40	EDGB	
COc1cccc(N(CC(=O)NN=C2CCCC2)S(C)(=O)=O)c1	408773957	UQRZVGYDZRSTJG-UHFFFAOYSA-N	339.417	1.507	50	40	EDGB	
Cc1ccsc1/C=N/NC(=O)Cn1nnc(-c2ccccc2)n1	33710146	CEOLUBDVTMFJHG-CXUHLZMHSA-N	326.385	1.860	50	40	EDGB	
COc1ccc(/C=C/C(=O)NNC(=O)c2ccncc2)c(OC)c1	15273483	LGLUMIGMQFLQST-GQCTYLIASA-N	327.340	1.573	50	40	EDGB	
O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1ccc(O)cc1	6242133	NETGIDKRFWHXOJ-YODDIOPGSA-N	337.379	1.858	50	40	EDGB	
Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(C(=O)O)cc2)cc1	13265085	HQVWMXBMROOPBI-UHFFFAOYSA-N	334.353	1.317	50	40	EDGB	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)Cn1ccnc1C	2707584	AVCLSCAJXMYGFU-GIJQJNRQSA-N	332.360	1.368	50	40	EDGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)ccc1O	101408910	XDBFIQGXEPACKH-AWEZNQCLSA-N	342.307	1.064	50	40	EDGB	
C=CCOc1ccccc1/C=C(\C#N)C(=O)N[C@@H]1CCS(=O)(=O)C1	27019317	YIGIMOOGVOEDQF-YVGNARHYSA-N	346.408	1.462	50	40	EDGB	
COc1ccc(CC(=O)NNC(=O)c2cccc(NC(C)=O)c2)cc1	8708773	GNGRBQQGRHIOSF-UHFFFAOYSA-N	341.367	1.657	50	40	EDGB	
CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)c1cccnc1	14139379	TWHBPROIVJYVTH-OAHLLOKOSA-N	346.431	1.564	50	40	EDGB	
O=C(NNC(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccco1	7284810	XYQBJIBSVCKIPL-UHFFFAOYSA-N	347.396	1.655	50	40	EDGB	
Cc1nn(CC(C)C)c(Cl)c1C(=O)NNC(=O)c1ccncc1	7780258	LXJMBOIEHDFSSK-UHFFFAOYSA-N	335.795	1.971	50	40	EDGB	
OCC[N@+]12CO[C@@H]3CCC[C@H](C[C@@H]1CI)[C@@H]32	254311234	OMTYTCOKKOZNSI-SSKLVLDBSA-N	338.209	1.528	50	40	EDGB	
CC(C)(C)CC(=O)NNS(=O)(=O)Cc1ccc(C(=O)O)cc1	585141049	OFXWJAXHWRLEBF-UHFFFAOYSA-N	328.390	1.272	50	40	EDGB	
COc1cccc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)c1O	3093604	OEHKOFZEIHMLPV-ZGXHQARYSA-N	341.367	1.728	50	40	EDGB	
Cn1ccnc1SCC(=O)NNC(=O)Cc1ccc(Cl)cc1	536301	INODSFVFOTXHRE-UHFFFAOYSA-N	338.820	1.556	50	40	EDGB	
CCC(=O)NC(=S)NNC(=O)c1ccc(Br)cc1	2064440	OXDSQFZIHBAQIH-UHFFFAOYSA-N	330.207	1.495	50	40	EDGB	
C/C(=N\NC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)CCC2	98055319	OLVLYPZDCZQJQT-LZNAANCOSA-N	335.429	1.386	50	40	EDGB	
CCc1c(C)nc(N)[n+]2c1SC[C@H]2CI	88127	NSMQLXJZSIAWNS-SSDOTTSWSA-O	336.222	1.904	50	40	EDGB	
Cc1cc(C)nc(NNC(=O)CCNC(=O)Cc2ccccc2)n1	22236106	GCYMWJHELMGMAZ-UHFFFAOYSA-N	327.388	1.286	50	40	EDGB	
CC1=NN(c2ccccc2)C(=O)[C@H]1C(=S)S[C@H]1CC(=O)OC1=O	104203788	KVUWXLFILPJQLN-JQWIXIFHSA-N	348.405	1.928	50	40	EDGB	
N#Cc1ccc(OCC(=O)NNC(=O)/C=C/c2cccc(F)c2)cc1	3266701	RBDKIUBOEVKIIY-RMKNXTFCSA-N	339.326	1.937	50	40	EDGB	
Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccncc2)cc1C	32118717	QHNYMAHONUYJFH-UHFFFAOYSA-N	328.397	1.648	50	40	EDGB	
C[C@H](NC(=O)c1ccccc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1	1956234	UGJPOCJEGMPTGJ-HWQJWEFDSA-N	340.339	1.863	50	40	EDGB	
COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c(OC)c1	4594773	BUWUOQOXBZROPX-AWEZNQCLSA-N	342.355	1.962	50	40	EDGB	
O=C(Cc1cccs1)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	4957246	CYDYKUJGSVRJGR-UHFFFAOYSA-N	341.370	1.209	50	40	EDGB	
CCC(=O)NNC(=O)[C@@H](C)Sc1nc2ccsc2c(=O)n1C	69705404	BKEJGOAVDQMPCU-SSDOTTSWSA-N	340.430	1.033	50	40	EDGB	
COc1cc(Cl)ccc1NC(=O)COc1ccccc1C(=O)NN	3259192	KEOLNUGJHWDYMA-UHFFFAOYSA-N	349.774	1.970	50	40	EDGB	
CC[C@@H]1CCc2sc(C(=O)NNC(=O)[C@@H](C)NC(N)=O)cc2C1	27327161	HMNBTMLQMFWPNF-RKDXNWHRSA-N	338.433	1.081	50	40	EDGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C	408972620	PUKRVBOLIUBTGU-SRZZPIQSSA-N	342.374	1.986	50	40	EDGB	
O=S1(=O)C[C@H](Cl)[C@H](NS(=O)(=O)c2ccc(Cl)cc2)C1	134667530	FOCGRSWYSCEMEK-VHSXEESVSA-N	344.241	1.023	50	40	EDGB	
CCCCN1C(=O)/C(=N/NC(=O)c2cc(C)n[nH]2)c2ccccc21	100833432	YJFDUKAEOWGLIT-HMMYKYKNSA-N	325.372	1.999	50	40	EDGB	
N#C[C@H](c1cnn(-c2ccccc2)c1)N1CCN(C(=O)CCl)CC1	20268687	IHAYLIUSBQWJTF-MRXNPFEDSA-N	343.818	1.820	50	40	EDGB	
COc1ccc2c(c1)/C(=N/NC(=O)c1ccccc1O)C(=O)N2C	13943373	RUIOYJMPGLLMNA-SDXDJHTJSA-N	325.324	1.511	50	40	EDGB	
C[C@@H](NC(=O)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	3096347	JOJIKMUOAZECOG-MBNTZHJCSA-N	340.339	1.922	50	40	EDGB	
CC(C)=NNC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1	5480792	HGMYFAWODXKHEI-UHFFFAOYSA-N	349.412	1.983	50	40	EDGB	
CCn1nc(C)c(/C=N\NC(=O)c2nc3nc(C)cc(C)n3n2)c1C	13110377	XSDQJJMMGQZIRT-IUXPMGMMSA-N	340.391	1.338	50	40	EDGB	
O=C(Cc1ccc2c(c1)OCO2)NNC(=O)c1ccc2c(c1)OCO2	69709830	PVKBWVDSJQCNDO-UHFFFAOYSA-N	342.307	1.148	50	40	EDGB	
Cc1ccc(S(=O)(=O)CC(=O)NNC(=O)c2ccccc2)cc1	8475391	KXCQYXGHVIYTQW-UHFFFAOYSA-N	332.381	1.230	50	40	EDGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(N)=O)cc2)cc1	2805824	RYVMCPUOAWTNSO-LICLKQGHSA-N	333.369	1.765	50	40	EDGB	
Cc1cc2c(c(=O)n1C)[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2	2219379	GILBCMVJEWQIBQ-CQSZACIVSA-N	338.323	1.820	50	40	EDGB	
CCOc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OCC(=O)O	4549908	GRQZWHANMQMQQT-NTUHNPAUSA-N	332.356	1.980	50	40	EDGB	
CC(C)[C@@H]1CC[C@@H](C)C/C1=N\NC(=O)N[C@@H]1CCS(=O)(=O)C1	84689049	ORTSAESZUAHAPA-FYXRSTJOSA-N	329.466	1.921	50	40	EDGB	
COCCCNC(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1[N+](=O)[O-]	16440583	BRHMXDJPIMOTFE-KPKJPENVSA-N	349.343	1.672	50	40	EDGB	
O=C(N/N=C\c1ccc(O)c([N+](=O)[O-])c1)[C@@H]1COc2ccccc2O1	31871099	SCGMXMMBFQDFJD-QTISIFFUSA-N	343.295	1.591	50	40	EDGB	
CC1(C)CC(=O)C2=C(C1)NC(=O)[C@]21C(C#N)=C(N)Oc2ccccc21	4517189	NHMMZKBIVHTDHQ-LJQANCHMSA-N	335.363	1.784	50	40	EDGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)Cc1ccccc1)OC2=O	525445	DPOADRMQRWCCCK-MSOLQXFVSA-N	330.384	1.498	50	40	EDGB	
CCn1cc(Cl)c(C(=O)NNC(=O)c2ccc3c(c2)OCO3)n1	28575194	PEZXTMLPQHDFCM-UHFFFAOYSA-N	336.735	1.360	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)cc1C	6648042	ZUHQJPAZRBXTTL-UHFFFAOYSA-N	336.351	1.615	50	40	EDGB	
COc1cc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)ccc1C	7957571	PTYVLGSYCCIELV-UHFFFAOYSA-N	328.324	1.807	50	40	EDGB	
CCc1cccc(N2C[C@@H](C(=O)NNC(=O)c3ccco3)CC2=O)c1	12917424	LFPFPIXXHYSXRX-ZDUSSCGKSA-N	341.367	1.656	50	40	EDGB	
COc1cccc(/C=N/NC(=O)c2cccnc2)c1O[C@@H](C)C(=O)O	6260178	VLXIQQBZTUQEJK-VSMYLPJWSA-N	343.339	1.706	50	40	EDGB	
O=C(O)CCCC(=O)NNC(=O)COc1ccc2ccccc2c1	12137477	PJNMUFHQZZQWEU-UHFFFAOYSA-N	330.340	1.621	50	40	EDGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc([N+](=O)[O-])ccc1O	106157272	YXEMQMSPZHCECJ-SXGWCWSVSA-N	344.283	1.901	50	40	EDGB	
NC(=O)COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1	15144817	WKCUFIDFTISIJS-GIJQJNRQSA-N	342.311	1.223	50	40	EDGB	
N#CC(C#N)=C(N)[C@]1(C#N)[C@H](c2ccccc2Cl)[C@]1(C#N)C(N)=O	85409144	HDZWJHMOVMGVLJ-VBNZEHGJSA-N	336.742	1.202	50	40	EDGB	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1COCCO1	30716989	QJXUVRFYJXVMOT-SNVBAGLBSA-N	335.238	1.472	50	40	EDGB	
CCOc1ccc(OCC(=O)N/N=C2\N=C(N)c3ccccc32)cc1	31907756	KGCYNRSGTYTNJE-UHFFFAOYSA-N	338.367	1.661	50	40	EDGB	
CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)c1ccco1	14139546	CUCGRUGYMRGGGM-CQSZACIVSA-N	335.404	1.762	50	40	EDGB	
CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)c2ccccc21	8026518	WIEBFSJGENFGLA-IBGZPJMESA-N	348.362	1.422	50	40	EDGB	
Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccs2)c(O)c1	7985487	PPYIEKIAAJSCCB-UHFFFAOYSA-N	334.353	1.380	50	40	EDGB	
O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1	101310978	ZKYCMLQDQOHVIC-WVFYTXOUSA-N	344.845	1.527	50	40	EDGB	
COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1cccnc1	4704906	GEQRGXZGDVJPRT-DEDYPNTBSA-N	340.383	1.691	50	40	EDGB	
NS(=O)(=O)c1ccc(NC(=S)NC(=O)CCCCl)cc1	4748983	FCBIFQASPORQIF-UHFFFAOYSA-N	335.838	1.166	50	40	EDGB	
CCOc1ccccc1OCC(=O)N/N=C1\N=C(N)c2ccccc21	16693543	LWLOEWCRDNTTAM-UHFFFAOYSA-N	338.367	1.661	50	40	EDGB	
COc1ccccc1/C=N/NC(=O)Cc1nnc(NC(C)=O)s1	408731810	PXICZOYMFQGJNJ-OVCLIPMQSA-N	333.373	1.198	50	40	EDGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCCCC1	409007375	VXOKHGAZQZZDPJ-GZTJUZNOSA-N	332.360	1.884	50	40	EDGB	
COc1cc(OC)cc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)c1	3174020	GJDXEBICMDKOLT-UHFFFAOYSA-N	345.311	1.687	50	40	EDGB	
CN(CC(=O)N/N=C/c1cccc(O)c1)S(=O)(=O)c1ccccc1	6544499	UMSUJPUHBHYQRX-GZTJUZNOSA-N	347.396	1.163	50	40	EDGB	
O=C(CN1CCOCC1)N/N=C\c1ccc(Br)s1	59246489	JSRLBMPNTPDTKY-QPEQYQDCSA-N	332.223	1.293	50	40	EDGB	
COc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2O)cc1	2316684	MNWDKLXCGZPSOW-UHFFFAOYSA-N	345.380	1.350	50	40	EDGB	
O=C(CBr)c1ccc(S(=O)(=O)N2CCOCC2)cc1	3415928	AOXMRCRZFSYCQD-UHFFFAOYSA-N	348.218	1.285	50	40	EDGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(N)=O)cc2)cc1	408926870	YVQGHADQECSEKT-LICLKQGHSA-N	349.368	1.465	50	40	EDGB	
COc1ccc(/C=N/NC(=O)CNC2CCCCC2)cc1[N+](=O)[O-]	409383525	ZMGOHTXVFFJTDW-VCHYOVAHSA-N	334.376	1.976	50	40	EDGB	
COc1ccc(CC(=O)N/N=C\c2ccc(O)cc2O)cc1OC	83316168	UCQOBFSOCYAIME-ZDLGFXPLSA-N	330.340	1.808	50	40	EDGB	
COC(=O)[C@H](CCC(=O)CCl)N1C(=O)[C@H]2CCCC[C@H]2C1=O	5014748	PDCJPQZLPKLUPB-TUAOUCFPSA-N	329.780	1.291	50	40	EDGB	
Nc1nonc1C(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	1882832	SEWFNKZMPPXVCH-FRKPEAEDSA-N	342.271	1.584	50	40	EDGB	
CCS(=O)(=O)[C@@](C)(CCl)C(=O)Nc1ccc(C(=O)OC)cc1	2366724	BNFVVQFQKLDZCV-AWEZNQCLSA-N	347.820	1.844	50	40	EDGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCC(N)=O)cc2)cc1	370928	UZVYBUORMBVGAN-VXLYETTFSA-N	327.340	1.323	50	40	EDGB	
C/C(CC(=O)NCc1ccccc1)=N\NC(=O)c1ccc(O)cc1O	100090597	BHWVYCRIJDMYAQ-UDWIEESQSA-N	341.367	1.910	50	40	EDGB	
O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1nn(-c2ccccc2)cc1O	103911203	GGLOKGBYPBECFH-SGMGOOAPSA-N	340.383	1.775	50	40	EDGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1C(=O)O	58884947	JBKSOGQKZUTNKS-VCHYOVAHSA-N	325.324	1.782	50	40	EDGB	
COc1ccc(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)c(OC)c1	11297781	ANHAYHMDECJGSY-YRNVUSSQSA-N	326.360	1.601	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2	12897498	MVUYGJXYIPJNCK-UHFFFAOYSA-N	334.353	1.081	50	40	EDGB	
O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/NC(=O)c1ccccc1F	8105877	BBGSDQIMSYQDQR-UHFFFAOYSA-N	328.259	1.820	50	40	EDGB	
CCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(O)cc2)s1	191562	SIDDTTAIURYRIL-OVCLIPMQSA-N	333.373	1.285	50	40	EDGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccn2)ccc1O	3057990	VGUKLWTVAOKMOK-VCHYOVAHSA-N	328.328	1.275	50	40	EDGB	
Cc1cc([N+](=O)[O-])cc2c1NC(=O)/C2=N\NC(=O)c1ccc(O)cc1	15133420	ZSTKFYWQNUYOAC-UHFFFAOYSA-N	340.295	1.695	50	40	EDGB	
CC1=C(C#N)C(=O)N(C)C(=O)[C@H]1/C=C(\C#N)c1nc2ccccc2[nH]1	5396651	LMGUJNVSXGYYTE-VNKGSWCUSA-N	331.335	1.925	50	40	EDGB	
CCOc1cccc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c1	102201920	PELCXBGISVDAOO-GVARAGBVSA-N	344.367	1.369	50	40	EDGB	
O=C(N/N=C/c1cccc2c1OCCO2)[C@H]1COc2ccccc2O1	54864391	BQCYPOCUQFRGBQ-MWJIIQFGSA-N	340.335	1.748	50	40	EDGB	
CCCCCC(=O)NC(=S)NNC(=O)c1cccc([N+](=O)[O-])c1	2072016	XIVQVNQSYSIGFT-UHFFFAOYSA-N	338.389	1.811	50	40	EDGB	
C/C(=N\NC(=O)[C@H]1CCCO1)c1ccc(N2CCOCC2)c(F)c1	43972381	CRCHEZXVMPLNJH-PUMYGXPMSA-N	335.379	1.682	50	40	EDGB	
N#Cc1ccccc1OCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1O	243556	HHHHHNQHKOQDGG-GIJQJNRQSA-N	340.295	1.701	50	40	EDGB	
COc1ccc(C(=O)NNC(=O)COc2ccccc2C#N)cc1	3396377	WLMCYWYIBLVQIF-UHFFFAOYSA-N	325.324	1.407	50	40	EDGB	
CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C(/C)c1ccc([N+](=O)[O-])cc1	100507418	DZQSYCMVIZRKDX-WPBJZHHJSA-N	331.332	1.337	50	40	EDGB	
COC(=O)c1c(NC(=O)CCl)sc2c1[C@@H](C(=O)OC)CC2	4038550	SQKHIHFBQDCIFM-LURJTMIESA-N	331.777	1.915	50	40	EDGB	
COc1ccc(C(=O)N/N=C2/C(=O)Nc3ccc(OC)cc32)cc1	59472605	PMQLGROISFWUOX-UHFFFAOYSA-N	325.324	1.790	50	40	EDGB	
COc1ccccc1[C@@H]1C(C#N)=C(SCC(N)=O)NC(=O)[C@@H]1C#N	2186130	AZEMTNJQXSOTML-YGRLFVJLSA-N	342.380	1.002	50	40	EDGB	
Cc1cc(C)c(C)c(S(=O)(=O)NNC(=O)c2cccn2C)c1C	28809559	JDAPJKVFHAUBIF-UHFFFAOYSA-N	335.429	1.882	50	40	EDGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)NNC(=S)NC1CCCCC1	17070727	BYOVCIKKRKBBKM-UHFFFAOYSA-N	336.417	1.965	50	40	EDGB	
O=C(NNc1ccc([N+](=O)[O-])c2nonc12)c1cccc([N+](=O)[O-])c1	13582859	DCHMHRNHIBDOPJ-UHFFFAOYSA-N	344.243	1.796	50	40	EDGB	
C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NN)cc1)c1ccccc1	409127508	NFNLOZGZRDJIER-GFCCVEGCSA-N	349.412	1.095	50	40	EDGB	
COc1cccc(C(=O)NCC(=O)N/N=C/c2ccccc2OC)c1	3035696	NBEOFHIFWTUBJP-RGVLZGJSSA-N	341.367	1.584	50	40	EDGB	
COc1ccc(/C=C(\C#N)C(=O)NC(=O)n2cc([N+](=O)[O-])cn2)cc1	2743381	PGJDDIHKGVIWNR-IZZDOVSWSA-N	341.283	1.491	50	40	EDGB	
O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1F	2624496	AFBIOSWNJDFQQP-UHFFFAOYSA-N	326.287	1.137	50	40	EDGB	
CCCn1nc(C(=O)NNC(=O)C2CCCC2)c2ccccc2c1=O	6258542	IRKZTEGIWDMGEL-UHFFFAOYSA-N	342.399	1.758	50	40	EDGB	
COc1ccc(C(=O)/C=C(/O)C(=O)NNC(=O)c2ccccc2)cc1	102417402	PFOIFRSQSRPNDS-LFIBNONCSA-N	340.335	1.781	50	40	EDGB	
O=C(/C=C/c1ccco1)NNC(=O)CCC(=O)Nc1ccccc1	4603753	MBJMRDSLWAKLJN-CMDGGOBGSA-N	327.340	1.859	50	40	EDGB	
COc1cccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)c1	3062144	QEDVAVQBESXUPU-DEDYPNTBSA-N	325.368	1.504	50	40	EDGB	biogenic
O=C(N/N=C/c1ccc(Br)cc1)C(=O)N1CCCCC1	59515485	ULNWVRRCBPONRU-MHWRWJLKSA-N	338.205	1.912	50	40	EDGB	
CCOc1ccc(C(=O)NNC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1	13253010	IWAGLXIQGISQNY-ZIAGYGMSSA-N	332.356	1.513	50	40	EDGB	
CCCCOc1ccc(C(=O)NNC(=O)c2cnccn2)cc1OC	7814566	AZEOXJDFTQCOMZ-UHFFFAOYSA-N	344.371	1.739	50	40	EDGB	
Cc1cccc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1	9366134	IAHSWYSSLQUKNO-UHFFFAOYSA-N	346.412	1.363	50	40	EDGB	
COc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)c(O)c([N+](=O)[O-])c1	409264759	PYACBORLOISMPP-GFHWABCWSA-N	345.311	1.493	50	40	EDGB	
O=C(NN[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O)c1ccccc1	102304177	WNEQGHSMPHRFFR-AWEZNQCLSA-N	343.770	1.907	50	40	EDGB	
N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccc(F)cc1F	100638085	SMNSUERQIKUDDU-CYBMUJFWSA-N	332.262	1.628	50	40	EDGB	
O=C(N/N=C/c1cc([N+](=O)[O-])c(O)cc1O)c1ccc([N+](=O)[O-])cc1	59503483	LMODJWKUMNXOGP-VIZOYTHASA-N	346.255	1.678	50	40	EDGB	
COc1cc(/C=N\NC(=O)[C@@H](N)Cc2ccc(O)cc2)ccc1O	104218885	CHHJFLAURAZPIA-VAODSVERSA-N	329.356	1.127	50	40	EDGB	
CC(C)(C)NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1	58425506	YVAZGMNGRRMJKK-UHFFFAOYSA-N	339.461	1.894	50	40	EDGB	
CCOc1ccc(N(C(=O)CCl)[C@@H]2C=CS(=O)(=O)C2)cc1	7952310	JXNZXAOJENUQRR-GFCCVEGCSA-N	329.805	1.968	50	40	EDGB	
NC(=O)COc1ccc(/C=N/NC(=O)CCc2ccccc2)cc1	58840025	YGFGNYFMQFTXDW-UDWIEESQSA-N	325.368	1.634	50	40	EDGB	
COC(=O)c1ccc(/C=N/NC(=O)C(=O)N2CCCCCC2)cc1	2315575	RTCFCAZPIZDOBU-LDADJPATSA-N	331.372	1.326	50	40	EDGB	
CCCc1n[nH]c2c1[C@@]1(C(=O)Nc3cccc(C)c31)C(C#N)=C(N)O2	8721227	JRSVOYBKCFQGSZ-GOSISDBHSA-N	335.367	1.995	50	40	EDGB	
COc1cccc(N2C(=O)C[C@@H](NNC(=O)c3cccs3)C2=O)c1	107277	PEKLBBLTPDWNAA-GFCCVEGCSA-N	345.380	1.323	50	40	EDGB	
CCOC(=O)[C@H](CSC(=O)CCCBr)NC(C)=O	68605759	WNKSMEOCGNZZFT-VIFPVBQESA-N	340.239	1.489	50	40	EDGB	
CC(C)(C)C(=O)NNS(=O)(=O)c1cc(O)cc(C(F)(F)F)c1	585119715	QYVDDFBCPMENRG-UHFFFAOYSA-N	340.323	1.767	50	40	EDGB	
COc1ccc([C@H]2C(C#N)=C(N)O[C@@H]3NN=C(C(F)(F)F)[C@H]32)cc1	5513935	WYEWJZSHVXDDKU-WDMOLILDSA-N	338.289	1.967	50	40	EDGB	
O=C(N/N=C/c1ccccn1)c1c(O)c2cccc3c2n(c1=O)CC3	100822865	KACKYXVMPCFLLF-KEBDBYFISA-N	334.335	1.422	50	40	EDGB	
O=C1OC(=O)c2cc(S(=O)c3ccc4c(c3)C(=O)OC4=O)ccc21	100019431	SCQNGUNURHWVKD-UHFFFAOYSA-N	342.284	1.475	50	40	EDGB	
CCCCCN(C(=O)CCl)c1c(N)n(CCCC)c(=O)[nH]c1=O	3345034	WKEYKUNLWBHWKI-UHFFFAOYSA-N	344.843	1.681	50	40	EDGB	
CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=C/c1ccc(N(C)C)cc1	4083791	RAAIJYFEUBHAPK-XNTDXEJSSA-N	325.368	1.337	50	40	EDGB	
COc1ccc(CC(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc1	17068750	YCAQBNNQXNGGRP-ZIAGYGMSSA-N	334.372	1.276	50	40	EDGB	
C/C(=N\NC(=O)N[C@H]1CCS(=O)(=O)C1)c1cc2ccccc2o1	96291598	ZUMHIFIEDXFMCG-VAKHEIKFSA-N	335.385	1.643	50	40	EDGB	
CCc1cc2c(=O)n(CC(=O)N/N=C/c3ccco3)cnc2s1	1784410	ZQZHOHFHPBKLFN-REZTVBANSA-N	330.369	1.764	50	40	EDGB	
CCCCOc1cc(C(=O)NN)c(OCCCC)cc1C(=O)NN	1911936370	PQAHUXXAKNMYDE-UHFFFAOYSA-N	338.408	1.251	50	40	EDGB	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)cc1OC	352381	ZLRRBXQBOJVEBQ-OAHLLOKOSA-N	330.340	1.958	50	40	EDGB	
O=C(CO)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	58882221	KLRKUOVTDXZSEK-VCHYOVAHSA-N	327.340	1.147	50	40	EDGB	
O=C(COC(=O)CCc1ccccc1)NNC(=O)c1ccccc1	3300613	KTTHXKBIZYJIHS-UHFFFAOYSA-N	326.352	1.624	50	40	EDGB	
CCCCC(=O)NN/C=C1\C(=O)NC(=S)N(c2ccccc2)C1=O	13570263	JENMFULYVYNKMD-ZRDIBKRKSA-N	346.412	1.129	50	40	EDGB	
O=C(N/N=C\c1ccc(S(=O)(=O)O)o1)c1ccccc1Cl	4502154	FGCWDUXJZISRPZ-AUWJEWJLSA-N	328.733	1.944	50	40	EDGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(-n3cnnn3)cc2)cc1	6510462	MZDPKCLPZKBDNR-WOJGMQOQSA-N	336.355	1.825	50	40	EDGB	
Cc1cc(C)cc(OCC(=O)NN[C@H](C(N)=O)c2ccc(F)cc2)c1	66938979	KSYLUQQSVCVLOW-KRWDZBQOSA-N	345.374	1.669	50	40	EDGB	
Cc1cccc2nc(C(=O)NNC(=O)c3ccc4c(c3)OCO4)cn12	30058477	IRWXHMRDUPAEEB-UHFFFAOYSA-N	338.323	1.446	50	40	EDGB	
CCOC(=O)[C@@]1(C#N)[C@H](c2ccccc2)[C@@]1(C#N)C(N)=C(C#N)C#N	66088253	VNPUEYKXIVLMAX-FHLIZLRMSA-N	331.335	1.627	50	40	EDGB	
C[C@@H]1[C@@H](C(=O)O)[C@H](C(=O)O)C[C@H](Br)[C@@H]1Br	100149763	ZLBZDHSWWOYOSK-XUUWZHRGSA-N	343.999	1.955	50	40	EDGB	
Cc1ncc(CO)c(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1O	256145	FPSNGGFJFBJJKV-REZTVBANSA-N	330.300	1.260	50	40	EDGB	
Cc1ccc(C(=O)NNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	319080	DXENSRYISRIMCS-UHFFFAOYSA-N	335.341	1.527	50	40	EDGB	
COc1ccc(/C=N/NC(=O)c2c([N+](=O)[O-])cnn2C)cc1OC	2067053	VMWUHLLDJZRYAH-VIZOYTHASA-N	333.304	1.109	50	40	EDGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2)ccc1O	62942226	GCLOJSKBSRQKJW-WOJGMQOQSA-N	327.340	1.880	50	40	EDGB	
COc1ccc2c3c1O[C@@H]1[C@H](O)[C@H](Cl)C=C4[C@H](C2)N(C)CC[C@@]431	96316346	YINRMDCHZPUWLJ-PSIYQUGRSA-N	333.815	1.863	50	40	EDGB	biogenic,in-vitro
COc1ccc(/C=N/NC(=O)CNC(=O)c2ccco2)cc1[N+](=O)[O-]	3116211	FPTIPORZFCPWFB-CAOOACKPSA-N	346.299	1.077	50	40	EDGB	
COc1ccc(/C=N/NC(=O)c2ccccc2O)c(C(=O)O)c1OC	247934	GTICARVOKADSHU-GIJQJNRQSA-N	344.323	1.872	50	40	EDGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccc(F)cc12	60395	JSLPEOXHMYAFLZ-KRWDZBQOSA-N	325.299	1.747	50	40	EDGB	
CCC12CN(C(=O)CCl)CC(CC)(CN(C(=O)CCl)C1)C2=O	205980	QJDCBGJAOSJZKW-UHFFFAOYSA-N	349.258	1.510	50	40	EDGB	
Cc1nc2ccccn2c1C(=O)NNC(=O)c1ccc2c(c1)CCO2	31971437	SXJFDHODKXUNNP-UHFFFAOYSA-N	336.351	1.652	50	40	EDGB	
CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NNC(=O)C1CCCCC1	32992739	XYZKRUHYVABGMT-KRWDZBQOSA-N	343.427	1.688	50	40	EDGB	
COc1ccc2c3c1O[C@@H]1[C@H](O)[C@@H](Cl)C=C4[C@@H](C2)N(C)CC[C@]431	253505639	YINRMDCHZPUWLJ-QJXUWAPISA-N	333.815	1.863	50	40	EDGB	biogenic,in-vitro
CCCCOc1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)cc1	3623605	AIECOBCWGNBENV-KBPBESRZSA-N	345.848	2.000	50	40	EDGB	
Nc1nccnc1C(=O)NNC(=O)c1cc2c(s1)CCCCC2	10470016	LHMOAPQZEAICOR-UHFFFAOYSA-N	331.401	1.464	50	40	EDGB	
O=C(N/N=C/c1ccc[nH]1)c1ccc(C(=O)N/N=C/c2ccc[nH]2)o1	31160	KMSZOUHVBPNYHP-LQGKIZFRSA-N	338.327	1.464	50	40	EDGB	
O=C(NN[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccccc1	243355	VSZWSQHHVDRNCT-CQSZACIVSA-N	343.770	1.907	50	40	EDGB	
O=C(NCc1ccccc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1	7782513	GSKRKBQTDNSRHE-WOJGMQOQSA-N	326.312	1.361	50	40	EDGB	
Cc1nn(C)c2nc(-c3cccc([N+](=O)[O-])c3)cc(C(=O)NN)c12	12395705	NAEVKHKMLKBYGB-UHFFFAOYSA-N	326.316	1.455	50	40	EDGB	
COc1cc(/C=N/NC(=O)c2ccc[n+]([O-])c2)cc(OC)c1OC	3171258	ASCTXAZNAMQIDD-RQZCQDPDSA-N	331.328	1.110	50	40	EDGB	
O=C(Cc1cn2ccsc2n1)N/N=C/c1ccc2c(c1)OCO2	12564188	DDQPLQQYHKUHFF-FRKPEAEDSA-N	328.353	1.817	50	40	EDGB	
O=C(NNC(=O)c1c[nH]nc1-c1ccc(F)cc1)c1cccnc1	12525203	JLFHLVODUYAFJS-UHFFFAOYSA-N	325.303	1.686	50	40	EDGB	
CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)c1ccco1	14139547	CUCGRUGYMRGGGM-AWEZNQCLSA-N	335.404	1.762	50	40	EDGB	
COCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(N(C)C)cc2)C1=O	16753090	SMXCTFLRZFUWRJ-WJDWOHSUSA-N	339.395	1.991	50	40	EDGB	
Cc1cc(=O)oc(C)c1C(=O)NNC(=O)[C@@]1(C)C[C@@H]1Br	2297424	SPNAMQGBHNPYRL-SDBXPKJASA-N	343.177	1.191	50	40	EDGB	
Cc1nn(CC(=O)NNC(=S)Nc2ccccc2)c(C)c1[N+](=O)[O-]	8670268	SEFNTVLUXLAZLP-UHFFFAOYSA-N	348.388	1.426	50	40	EDGB	
CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccc2)cc1	5634927	CECKPOVBZJKNAI-UHFFFAOYSA-N	347.396	1.012	50	40	EDGB	
O=C(O)COc1ccc(/C=N/NC(=O)CNC2CCCCC2)cc1	409370475	RNIPLLFESRUNEP-VXLYETTFSA-N	333.388	1.522	50	40	EDGB	
O=C(CCn1c(=O)oc2ccccc21)NNC(=O)c1ccccc1	7648969	FYGYZSPLWZYJII-UHFFFAOYSA-N	325.324	1.446	50	40	EDGB	
C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc2nccnc12	5047421	FYBGVJDFCOBOIU-KKBVUKDESA-N	343.387	1.993	50	40	EDGB	
COc1ccc(C(=O)NNC(=O)NCc2ccc(OC)nc2)cc1	32795440	DBCWXLPIZNMWAV-UHFFFAOYSA-N	330.344	1.243	50	40	EDGB	
COc1cc(/C=N/NC(=O)c2sc(N)c(C#N)c2C)ccc1O	267011	BFZDQVWWZRLQOI-CNHKJKLMSA-N	330.369	1.989	50	40	EDGB	
Cc1cc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)ccc1[N+](=O)[O-]	12771277	WKAGQBYECLVJJX-LBPRGKRZSA-N	341.389	1.009	50	40	EDGB	
COc1ccc(C(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)c(O)c1	409392011	MURDVACWAKEMKJ-LZYBPNLTSA-N	331.284	1.779	50	40	EDGB	
CC(C)CNC(=O)C(=O)N/N=C/c1cc(Br)ccc1O	32109824	JLIAWGMOSOSGLO-FRKPEAEDSA-N	342.193	1.377	50	40	EDGB	
CC(C)(C)c1ccc(S(=O)(=O)NNC(=O)c2ccccn2)cn1	1615553271	WFEIMAWVPLRCKO-UHFFFAOYSA-N	334.401	1.397	50	40	EDGB	
COc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1OC	4079619	UQTIASPAGMDAIG-RGVLZGJSSA-N	341.367	1.584	50	40	EDGB	
CC1(C)[C@]2(C(=O)N/N=C/c3ccc(O)cc3O)CC[C@@]1(C)C(=O)O2	527353	LTLOMSSHDSIDNZ-NAAWBFTLSA-N	332.356	1.670	50	40	EDGB	
COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NN)c1ccccc1	583262	LFECLBAEFFKUNQ-UHFFFAOYSA-N	349.412	1.189	50	40	EDGB	
CCOC(=O)NNC(=O)CCc1cc(OC)c(OC)c(OC)c1	21771543	WITQJGQXVKKPOB-UHFFFAOYSA-N	326.349	1.422	50	40	EDGB	
C=C(C)Cn1c(=O)c2c(nc3n(CCCl)c(C)c(C)n23)n(C)c1=O	8725087	UWRWPPJXRMAFNP-UHFFFAOYSA-N	349.822	1.581	50	40	EDGB	
COc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c(OC)c1	3115029	FOJNFAWQSYNRAA-AEUYPJEVSA-N	342.351	1.994	50	40	EDGB	
O=C(Cn1cnc2ccccc21)NNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2	106026730	LQABHRLBEACJAM-SGMGOOAPSA-N	343.456	1.720	50	40	EDGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)[C@@H]3C=NNC3=O)ccc21	100948833	VPEIUBUNWKPBAX-VYXQJKENSA-N	347.378	1.996	50	40	EDGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccc2c(c1)OCCO2	36020382	MAGPIMSORQJBRF-RQZCQDPDSA-N	343.295	1.836	50	40	EDGB	
COc1cc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)ccc1O	408720779	DBRQQLUMZVPJTC-IZZDOVSWSA-N	325.328	1.108	50	40	EDGB	
O=C(COc1cccc(C(F)(F)F)c1)NNC(=O)c1ccncc1	6053920	IWVRPGBDNJOWCE-UHFFFAOYSA-N	339.273	1.940	50	40	EDGB	
COc1cc(C(=O)NNC(=O)c2ccc(F)cc2)cc2c1OCCO2	7913741	BFSVTHUQCBRQHY-UHFFFAOYSA-N	346.314	1.680	50	40	EDGB	
CCCc1ccc(N2C[C@H](C(=O)NNC(=O)C(C)C)CC2=O)cc1	32674031	QNMPRSCVCKVERZ-CQSZACIVSA-N	331.416	1.795	50	40	EDGB	
O=C1NC(=O)N2C[C@H](CBr)O[C@@H]2[C@H]1c1ccccc1	1563740	DFDGSUXSGLUAGM-JBLDHEPKSA-N	325.162	1.442	50	40	EDGB	
C#CCN1C(=O)/C(=N\NC(=O)COc2ccccc2C)c2ccccc21	18210860	HHVFYQBRIXDIIO-QOCHGBHMSA-N	347.374	1.874	50	40	EDGB	
C/C(CC(=O)Nc1ccc(C)c(C)c1)=N\NC(=O)C(=O)N1CCCC1	16312347	MVFDDNVCMAEGFT-XSFVSMFZSA-N	344.415	1.747	50	40	EDGB	
CC(C)(C)OC(=O)NCCC(=O)NNC(=O)c1ccccc1F	8141947	WROBKJDVOURSGS-UHFFFAOYSA-N	325.340	1.502	50	40	EDGB	
Nc1nonc1C(=O)N/N=C\c1cc([N+](=O)[O-])c(Cl)cc1Cl	5005157	UYCCUBBNTMSJPC-BNNQUZSASA-N	345.102	1.631	50	40	EDGB	
O=C(N/N=C/c1ccc(O)c(O)c1)N/N=C/c1ccc(O)c(O)c1	225604	BRHXDZBOSDPKDA-GDWCLCACSA-N	330.300	1.176	50	40	EDGB	
O=C(NNC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O)c1cccc(Cl)c1	101674367	YNIJWSOZPHETTQ-NGERZBJRSA-N	336.775	1.848	50	40	EDGB	
COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OC	18115895	ZMOAGRAGSUCGHV-OAHLLOKOSA-N	342.355	1.962	50	40	EDGB	
O=C(Cc1ccccc1)NNC(=O)[C@@H]1CCCN(c2ncccn2)C1	4966164	ZGAVEHOIEYLFNE-OAHLLOKOSA-N	339.399	1.083	50	40	EDGB	
COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1OC	3085673	QHMIOSIIPUCDGC-VXLYETTFSA-N	345.330	1.932	50	40	EDGB	
Cc1cc(C(=O)NNC(=O)Cn2c(=O)oc3ccccc32)c(C)o1	5272472	YWZGTGZKXPADKV-UHFFFAOYSA-N	329.312	1.266	50	40	EDGB	
CCOc1ncccc1C(=O)NNC(=O)COc1ccccc1F	14111857	QGKXWYSLESILJG-UHFFFAOYSA-N	333.319	1.459	50	40	EDGB	
COC(=O)COc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1OC	408776913	SNPHMCWZKLIQMP-QPEQYQDCSA-N	332.356	1.679	50	40	EDGB	
C/C(CC(=O)NC1CCCC1)=N\NC(=O)C(=O)Nc1ccccc1C	5421300	KYEPQIOIUNSMFP-FYJGNVAPSA-N	344.415	1.875	50	40	EDGB	
O=C(N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)c1cccnc1	3206568	IOGHSGXGEPTMTK-VIZOYTHASA-N	331.244	1.368	50	40	EDGB	
CCOC(=O)C(=O)N/N=C/c1cccc(I)c1	3668563	ZSMMCGLPLLBSMI-NTUHNPAUSA-N	346.124	1.304	50	40	EDGB	
COc1cc(NC(C)=O)c(CNC(=O)CCl)cc1CNCCl	60095593	BYNQCJBJHZOLAB-UHFFFAOYSA-N	348.230	1.795	50	40	EDGB	
COc1ccccc1OCC(=O)N/N=C/c1ccc(C(=O)O)cc1	6584494	IWCDJJOGOOISIR-VCHYOVAHSA-N	328.324	1.923	50	40	EDGB	
Nc1ccc(C(=O)NN2C(=O)[C@H](Cl)[C@H]2c2cccc(O)c2)cc1	1633072	DLROLMYUVONQJA-ZIAGYGMSSA-N	331.759	1.810	50	40	EDGB	
O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(O)c(O)c1	1877648	GCJVHOKMRSNYCW-UFWORHAWSA-N	347.758	1.631	50	40	EDGB	
O=C(/C=C/c1ccccc1)NCC(=O)N/N=C1\C(=O)Nc2ccccc21	1946879	KEXBXEZZBVDXTI-ZHACJKMWSA-N	348.362	1.289	50	40	EDGB	
COc1cc([C@H]2C(C#N)=C(O)NC(=O)[C@@H]2[n+]2ccccc2)ccc1O	4551273	DHMDSAYZFPTYPT-JKSUJKDBSA-O	338.343	1.436	50	40	EDGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2C(=O)O)cc1	19639648	JIKRXOAJSSEUHU-VCHYOVAHSA-N	325.324	1.782	50	40	EDGB	
CC1(C)[C@]2(C)CC[C@]1(C(=O)N/N=C/c1ccc3c(c1)OCO3)OC2=O	100260186	CNCVZNPURRVSBS-VJPPVRQASA-N	344.367	1.987	50	40	EDGB	
O=C(CCl)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1	4218524	SWPGKRORGRDTII-UHFFFAOYSA-N	342.848	1.247	50	40	EDGB	
COCCNC(=O)/C(C#N)=C/c1cc(Br)ccc1O	408819615	ZRBKLYVJJYTJRD-UXBLZVDNSA-N	325.162	1.824	50	40	EDGB	
COc1ccc(O)c(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)c1	116736086	DOZNCMYVUYHKNY-LZYBPNLTSA-N	331.284	1.779	50	40	EDGB	
Cc1cc(C)nc(NNC(=O)CCn2cnc3ccccc3c2=O)n1	14514540	RETMIYJCOCGXCL-UHFFFAOYSA-N	338.371	1.337	50	40	EDGB	
O=C(N/N=C/c1ccc(N2CCOCC2)c(F)c1)c1cccnc1	4740053	IMCXKKVROYADJY-RGVLZGJSSA-N	328.347	1.821	50	40	EDGB	
CC[C@@H](C)C(=O)NNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-]	60443278	ALYKJYTXBVIEGN-MRVPVSSYSA-N	329.378	1.567	50	40	EDGB	
C/C(=N\NC(=O)COc1ccccc1C#N)c1cc(O)ccc1O	33045780	GKKDNWLPPOHFND-YBFXNURJSA-N	325.324	1.889	50	40	EDGB	
O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(O)cc1	7812999	DEWQHACXWXCOEM-VXLYETTFSA-N	331.759	1.812	50	40	EDGB	
Cc1ccc(-n2c(C)nc(=O)c3cc(C(=O)NN)c(C)nc32)c(C)c1	1405526	QZLOYUHLLRKAEC-UHFFFAOYSA-N	337.383	1.618	50	40	EDGB	
CC1=C(C#N)[C@](NC(=O)c2ccc(F)cc2)(C(F)(F)F)C(=O)N1	4200137	LCGVUHRRCDLMKD-CYBMUJFWSA-N	327.237	1.784	50	40	EDGB	
CN(C)NC(=O)Nc1ccc2nc(N3C(=O)CCC3=O)sc2c1	409133437	LTRNIXDFRDCEMB-UHFFFAOYSA-N	333.373	1.548	50	40	EDGB	
COCCNC(=S)NNC(=O)c1cccc(-n2c(C)ccc2C)c1	408586304	NIHYLCPOGNEKMX-UHFFFAOYSA-N	346.456	1.849	50	40	EDGB	
COc1ccc(OC)c(/C=N/NC(=O)C(=O)NC2CCCCC2)c1	3058034	FVAQJMKVRVNVDI-WOJGMQOQSA-N	333.388	1.603	50	40	EDGB	
O=C(N/N=C/c1ccc(O)cc1O)N/N=C/c1ccc(O)cc1O	1679697	AQGRVUSIDHAVKU-GDWCLCACSA-N	330.300	1.176	50	40	EDGB	
CC[C@@]1(C)Cc2c(sc3nc(NNC(C)=O)n(C)c(=O)c23)CO1	495597	LEOGEMPAEDZHQA-HNNXBMFYSA-N	336.417	1.699	50	40	EDGB	
CC(=O)N/N=C/c1cc(C)n(-c2cc(C(=O)O)cc(C(=O)O)c2)c1C	59250401	BDEOKEBFRBDRQP-QGMBQPNBSA-N	343.339	1.961	50	40	EDGB	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccc[n+]([O-])c2)c1	23722662	GFWFXUSNAWXFGF-UHFFFAOYSA-N	343.383	1.592	50	40	EDGB	
NNC(=O)[C@H]1Sc2nnc(C(F)(F)F)n2N[C@@H]1c1ccccc1	27028448	RLUQTPCZCYMWIP-SFYZADRCSA-N	344.322	1.046	50	40	EDGB	
COc1cc2c(cc1OC)C1=C(C#N)CN(CC(=O)O)CN1CC2	2463755	IVBUYYLPPROEKB-UHFFFAOYSA-N	329.356	1.154	50	40	EDGB	
CCOc1cc2c(cc1/C=C(\C#N)C(=O)N1CCOCC1)OCO2	409097637	NAIXYEPXSGBMSU-NTUHNPAUSA-N	330.340	1.580	50	40	EDGB	
CC[C@H](C)N1C(=O)/C(=C\NNC(=O)c2ccccc2)C(O)=NC1=S	38182509	BSESYXSQMCBDBR-JMZICWNOSA-N	346.412	1.687	50	40	EDGB	
Cc1ccc(-n2ncc3c(=O)n(NC(=O)[C@H](C)Cl)cnc32)cc1C	10251953	AYVAQMYWTGAIKK-NSHDSACASA-N	345.790	1.896	50	40	EDGB	
O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccc(O)cc1	3359373	YITUTHOOEGLGOT-CPNJWEJPSA-N	325.368	1.993	50	40	EDGB	
CC(C)c1n[nH]c2c1[C@]1(C(=O)Nc3ccc(F)cc31)C(C#N)=C(N)O2	8567006	BYBQBWSGVDJIPI-QGZVFWFLSA-N	339.330	1.997	50	40	EDGB	
Cc1cc(S(=O)(=O)NNC(=O)C2CCCC2)c(F)cc1[N+](=O)[O-]	585141725	ZILKHSJVOVBSJE-UHFFFAOYSA-N	345.352	1.542	50	40	EDGB	
C/C(CC(=O)NC(C)(C)C)=N\NC(=O)C(=O)Nc1cccc(C)c1	5364433	NOYSEZHEQWFPLO-UDWIEESQSA-N	332.404	1.730	50	40	EDGB	
COC(=O)C1=C(CCl)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1	57509189	LBBANOQVHDCSHX-ZDUSSCGKSA-N	340.763	1.724	50	40	EDGB	
Cc1ccc(S(=O)(=O)NNC(=O)COc2ccc(C#N)cc2)cc1	3305043	YJKPLYUHPLNHFS-UHFFFAOYSA-N	345.380	1.255	50	40	EDGB	
COc1ccc(C(=O)NNC(=S)NC(=O)c2cccnc2)cc1	2316571	ZPZSCXGHXLYBKH-UHFFFAOYSA-N	330.369	1.040	50	40	EDGB	
C=CCNC(=S)NNC(=O)C(O)(c1ccccc1)c1ccccc1	6819642	OUDUPCLFGYCCTG-UHFFFAOYSA-N	341.436	1.604	50	40	EDGB	
Cc1ccc(/C=N/NC(=O)CNC(=O)COc2ccccc2)cc1	4086415	HEYHXLOPTBZCGS-RGVLZGJSSA-N	325.368	1.640	50	40	EDGB	
C[C@@H]1Cc2cc(/C=C(\C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)ccc2O1	5399312	KUJLYSLZWSSDIY-IBXZEKITSA-N	346.408	1.220	50	40	EDGB	
CCNS(=O)(=O)C[C@]1(C)[C@H]2CC[C@@]1(C)C(=O)[C@H]2Br	245241383	CHHKYNYNFQLRRG-FSZOTQKASA-N	338.267	1.695	50	40	EDGB	
CCn1ncc(/C=N/NC(=O)c2nn(C)cc2Br)c1F	252490351	KQPDELJERSQNPX-LNKIKWGQSA-N	343.160	1.302	50	40	EDGB	
CCOC(=O)/C(=N\NC(=O)c1ccccc1O)[C@@H](C)C(=O)OCC	5460011	LFQNRWGBKWHQAF-ZFUTULMCSA-N	336.344	1.240	50	40	EDGB	
Cc1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccco1	2133243	RXXAIWPYSNDLAL-UHFFFAOYSA-N	333.369	1.303	50	40	EDGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccccn2)S(C)(=O)=O)c1	409185448	LNXKBZHNCOMXPQ-WOJGMQOQSA-N	346.412	1.306	50	40	EDGB	
Cc1cc(S(=O)(=O)NNC(=O)CC(C)(C)C)c(F)cc1[N+](=O)[O-]	585140378	CUDAHZDMMXBLLM-UHFFFAOYSA-N	347.368	1.788	50	40	EDGB	
CCOC(=O)C1(C(=O)OCC)[C@@H](Cl)C(=O)N1c1ccccc1	5014740	DCDDZWCXKGHUFC-NSHDSACASA-N	325.748	1.506	50	40	EDGB	
COc1cc(/C=N\NC(=O)c2sc(N)nc2C)cc(OC)c1O	31854408	VIGIGSGJWHVBOJ-SOFYXZRVSA-N	336.373	1.520	50	40	EDGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)c1n[nH]cc1Br	256121	ZMJONZXRZWKDKS-LNKIKWGQSA-N	337.133	1.665	50	40	EDGB	
O=C(NNC(=O)c1ccc(F)cc1)NC1CCN(C(=O)C2CC2)CC1	32802987	DXQGTUCQQIPMKW-UHFFFAOYSA-N	348.378	1.171	50	40	EDGB	
NNC(=O)[C@@H]1CN(C(=O)c2ccccc2Cl)c2ccccc2O1	225330333	RIUJBNNCBHTEOE-AWEZNQCLSA-N	331.759	1.738	50	40	EDGB	
NNC(=O)[C@@H]1CN(C(=O)c2ccc(Cl)cc2)c2ccccc2O1	225330145	KDIMEWYRTNNRGW-AWEZNQCLSA-N	331.759	1.738	50	40	EDGB	
NNC(=O)[C@@H]1CN(C(=O)c2cccc(Cl)c2)c2ccccc2O1	225330244	HLMSQYHHZRTVRO-AWEZNQCLSA-N	331.759	1.738	50	40	EDGB	
CCOc1cc(/C=N/NC(=O)c2c([N+](=O)[O-])cnn2C)ccc1O	482691	NLDZADDNRPDTJV-VIZOYTHASA-N	333.304	1.197	50	40	EDGB	
C[C@@H](CC(=O)O)CC(=O)NNC(=O)c1ccccc1Br	26807894	DWBGNXSCHXETEQ-MRVPVSSYSA-N	343.177	1.711	50	40	EDGB	
Cc1ccc(NCC(=O)NNC(=O)CCc2c(C)noc2C)cc1	60441524	UKYDGBJHEJEKHJ-UHFFFAOYSA-N	330.388	1.792	50	40	EDGB	
O=C(N/N=C/c1ccc(N2CCOCC2)o1)c1cccc([N+](=O)[O-])c1	1029661	PVIZKXRIZWZDEK-GZTJUZNOSA-N	344.327	1.788	50	40	EDGB	
N#Cc1cccc(C(=O)NNC(=O)c2cc(Br)c[nH]2)c1	8123188	CDRSFAURWIBOEB-UHFFFAOYSA-N	333.145	1.724	50	40	EDGB	
COc1ccc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)cc1	59463257	ASQBIKXMGDVRNO-DJKKODMXSA-N	327.340	1.986	50	40	EDGB	
O=C(/C=C/c1ccc(F)cc1)NC(=S)NNC(=O)c1cccnc1	2316617	YTLRFPWNNZESBU-VMPITWQZSA-N	344.371	1.570	50	40	EDGB	
CCCCOc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)cc1	3623603	AIECOBCWGNBENV-ZIAGYGMSSA-N	345.848	2.000	50	40	EDGB	
O=C(NC(=S)NNC(=O)[C@H]1C[C@@H]1c1ccccc1)c1cccnc1	4902743	HLPISEZOPXIFAY-KGLIPLIRSA-N	340.408	1.521	50	40	EDGB	
Cc1[nH]c(C(=O)NNC(=O)c2cccnc2)c(C)c1C(=O)OC(C)C	9364104	JPAYMFWVKJTAKP-UHFFFAOYSA-N	344.371	1.667	50	40	EDGB	
CCNC(=S)NNC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C	9355883	FGMDRSQQDJEGTN-LBPRGKRZSA-N	340.424	1.095	50	40	EDGB	
CCn1ncc(/C=N/NC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])c1F	252508028	XARDCZUKUGVPED-JVDJPWEPSA-N	349.322	1.868	50	40	EDGB	
COCCNC(=O)CC(=O)N/N=C/c1cccc(Br)c1	5511756	DURZBOZAQDDVRT-CXUHLZMHSA-N	342.193	1.052	50	40	EDGB	
COS(=O)(=O)C(=O)N[C@@H]1CCCC[C@H]1I	1712346	JFCWZSSYFOQMLI-RNFRBKRXSA-N	347.174	1.418	50	40	EDGB	
NNC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1	3098826	VCWPVAOTTXSDCH-UHFFFAOYSA-N	339.424	1.940	50	40	EDGB	
COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1	58884997	YXWUDBOPZPYBID-LICLKQGHSA-N	342.311	1.692	50	40	EDGB	
Cc1cc(-n2c(C)cc(C(=O)NNC(=S)NC(C)C)c2C)no1	22318828	GRPCLLNTAOPDEA-UHFFFAOYSA-N	335.433	1.908	50	40	EDGB	
CN(C)N(C(=O)CSc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1	8855594	RVIYFODROKTOJL-LBPRGKRZSA-N	346.449	1.410	50	40	EDGB	
CC1=C(C)C[C@@H](C(=O)NNC(=O)c2cccc(O)c2)[C@@H](C(=O)O)C1	5465413	KLCDWFXUOXVPRF-KGLIPLIRSA-N	332.356	1.600	50	40	EDGB	
Cc1nc(C)c(C(=O)OCC(=O)NNC(=O)c2cccs2)s1	8157267	IFEAXYDYPGYFQJ-UHFFFAOYSA-N	339.398	1.439	50	40	EDGB	
C#CCOc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1OC	409128674	TVBDCBYEXPKKKL-INIZCTEOSA-N	336.351	1.957	50	40	EDGB	
CC(C)(C)OC(=O)c1ccc(CNc2ccccc2B(O)O)cc1	169748206	GZXSLAIWZIOSSY-UHFFFAOYSA-N	327.189	1.934	50	40	EDGB	
O=C(O)[C@H]1[C@@H]2C[C@@H]([C@@H](Br)[C@H]2Br)[C@@H]1C(=O)O	1664594	HECPLCNVJSYLGU-XEWORZBESA-N	341.983	1.565	50	40	EDGB	
CC(C)n1nc(C(=O)NNC(=O)C2CCCC2)c2ccccc2c1=O	12941456	QWPWFKJDSWUDBB-UHFFFAOYSA-N	342.399	1.929	50	40	EDGB	
CC(C)(C)NC(=O)CCC(=O)NNC(=O)Cn1ccc2ccccc21	4676434	STBIGEGJBGZELL-UHFFFAOYSA-N	344.415	1.484	50	40	EDGB	
CC[C@H](C(=O)N/N=C/c1c(C)nn(C)c1F)n1cc([N+](=O)[O-])cn1	252481479	CMVXONBOQXAWAH-OGEWLBHXSA-N	337.315	1.074	50	40	EDGB	
Cc1nn(C)c(F)c1/C=N/NC(=O)c1cc(-c2ccc(O)cc2)on1	252498495	RDFGIGGIDGAYQT-QGMBQPNBSA-N	343.318	1.992	50	40	EDGB	
N#CCC(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1	380022	YPXHDIJAIBKHNH-UDWIEESQSA-N	342.399	1.878	50	40	EDGB	
CCc1ccc(C(=O)NNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1	13006548	CDPULXRDBWYMRR-CXAGYDPISA-N	347.440	1.464	50	40	EDGB	
CCCn1c(=O)c(C(=O)NNC(=O)C(C)C)c(O)c2ccccc21	100534762	KTIANWASECYXBR-UHFFFAOYSA-N	331.372	1.534	50	40	EDGB	
Cc1ccccc1C(=O)NNS(=O)(=O)c1cccc([N+](=O)[O-])c1	4833046	FRZWKIYKZBYDKK-UHFFFAOYSA-N	335.341	1.527	50	40	EDGB	
Cc1ccc(NC(=O)[C@@H](C)Cl)cc1S(=O)(=O)N1CCOCC1	3887317	ZEGMZAATHVAXFR-LLVKDONJSA-N	346.836	1.582	50	40	EDGB	
COc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)O)cc2)c1	33397883	KFVLKCVMRUTUIH-ZDLGFXPLSA-N	328.324	1.923	50	40	EDGB	
Cc1nn(C)c(F)c1/C=N/NC(=O)c1nn(C)cc1Br	252483536	FDWIYYHZDOWYER-LNKIKWGQSA-N	343.160	1.128	50	40	EDGB	
CCOc1cc([C@H]2NC(=O)NC(CCl)=C2C(=O)OC)ccc1O	57508989	YBIPYWKEYNEZRY-CYBMUJFWSA-N	340.763	1.811	50	40	EDGB	
O=C(NCc1ccco1)C(=O)NNC(=O)c1csc2ccccc12	8704618	IEXAJZLQQMGFSI-UHFFFAOYSA-N	343.364	1.572	50	40	EDGB	
CCOc1ccc(C(=O)NNC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1	13253012	IWAGLXIQGISQNY-UONOGXRCSA-N	332.356	1.513	50	40	EDGB	
Cc1cc(C(=O)N/N=C2\C(=O)N(CCCC#N)c3ccccc32)[nH]n1	5045024	GTJSSEUJWIRLGK-QNGOZBTKSA-N	336.355	1.503	50	40	EDGB	
CC(=O)NCCN/C(CCl)=N/S(=O)(=O)c1ccc(C)cc1	9226775	GZHJGSSVWMMJID-UHFFFAOYSA-N	331.825	1.047	50	40	EDGB	
COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1ccncc1	409233532	STHDOUZQRJCDRG-DEDYPNTBSA-N	340.383	1.691	50	40	EDGB	
O=C(N/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccco1	39978386	VEPZDHHCODMQLX-BOPFTXTBSA-N	344.327	1.788	50	40	EDGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3nc[nH]c(=O)c32)cc1OC	17723993	IPGRMIBAUCIMNX-CYBMUJFWSA-N	340.339	1.395	50	40	EDGB	
COC(=O)/C=C1/S/C(=N/NC(=O)c2ccccc2Cl)NC1=O	525398	CDEVPUUMCMIGOE-RMKNXTFCSA-N	339.760	1.261	50	40	EDGB	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1	1675743	DVQJEZPPUXBFBO-UHFFFAOYSA-N	330.256	1.578	50	40	EDGB	
O=C(NNC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23)c1ccc(Cl)cc1	4810218	BHCZTRRIGBVUJF-GIVNFFOOSA-N	334.759	1.299	50	40	EDGB	
O=C(C(Cl)Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1	38141743	IRLMPCZCMDGCCH-UHFFFAOYSA-N	331.199	1.863	50	40	EDGB	
CN(C)N(C(=O)c1cn(C)c2ccccc12)[C@H]1CCS(=O)(=O)C1	49580882	ZRGLADRUIJFFHB-LBPRGKRZSA-N	335.429	1.284	50	40	EDGB	
CCNS(=O)(=O)C[C@@]1(C)[C@H]2CC[C@@]1(C)C(=O)[C@H]2Br	245241384	CHHKYNYNFQLRRG-QSFUFRPTSA-N	338.267	1.695	50	40	EDGB	
O=C(CCl)NNC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F	160007	KSHVIFLVLMXHEF-UHFFFAOYSA-N	346.696	1.891	50	40	EDGB	
Cc1n[nH]c2c1[C@H](c1ccc(N3CCOCC3)cc1)C(C#N)=C(N)O2	581359	GODWYMWRIXMWLJ-MRXNPFEDSA-N	337.383	1.773	50	40	EDGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccn2)S(C)(=O)=O)cc1	59472766	NIKHVQOGRZLFTM-WOJGMQOQSA-N	346.412	1.306	50	40	EDGB	
O=C(CCCC(=O)N/N=C/c1ccccn1)N/N=C/c1ccccn1	2103006	FLWQNBAFWTXYIC-ZIOPAAQOSA-N	338.371	1.247	50	40	EDGB	
COc1cccc(/C=N/NC(=O)CSc2nnc(C)s2)c1O	2210864	LBAICHDLUCDKFW-MKMNVTDBSA-N	338.414	1.803	50	40	EDGB	
O=C(NNC(=O)[C@H]1CCCN1C(=O)c1cccs1)c1ccco1	12885274	BMOGCKNRYJVTHA-SNVBAGLBSA-N	333.369	1.407	50	40	EDGB	
COCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c1C	28934076	PBCJZZCZEKLANP-KGZWWPETSA-N	331.416	1.954	50	40	EDGB	
CC(C)C(=O)N/N=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1	83259659	XMTJEVRVSBPUTI-OBLBUWMUSA-N	347.415	1.467	50	40	EDGB	
c1ccc2oc(SC[Si-]345OCC[N+]3(CCO4)CCO5)nc2c1	195819731	BUEFRKBWPOLRBJ-UHFFFAOYSA-N	338.461	1.756	50	40	EDGB	
CCCCCC(=O)NN[C@H]1CC(=O)N(c2cccc(OCC)c2)C1=O	100129454	MPNYORBZWMOPLD-HNNXBMFYSA-N	347.415	1.918	50	40	EDGB	
O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(O)cc1	257127	KNXJLIWDGQRIOO-FRKPEAEDSA-N	329.268	1.793	50	40	EDGB	
O=C(NN1C(=O)[C@@H](Cl)[C@@H]1c1ccc(O)cc1)c1ccccc1O	1633520	UOGKILIVBHEGSL-KBPBESRZSA-N	332.743	1.934	50	40	EDGB	
CCOC(=O)N1CCC(C(=O)NNC(=O)c2ccccc2O)CC1	22258603	WDOJDWDXUCXHRB-UHFFFAOYSA-N	335.360	1.022	50	40	EDGB	
O=C(N/N=C/[C@H]1C[C@@H]2C=C[C@@H]1C2)C(=O)N/N=C/[C@@H]1C[C@@H]2C=C[C@H]1C2	104168080	NGTNPOWMSTVRGR-TWLDBIJZSA-N	326.400	1.615	50	40	EDGB	
O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)NCc4ccco4)[C@@H]13)[C@H]2Br	102604195	PSQXIPJKVJKDLH-MOCCIAMBSA-N	340.173	1.467	50	40	EDGB	
O=C(N/N=C/c1cccnc1)C(=O)Nc1ccccc1Br	59435834	DZPKHVWVZJNGSC-RQZCQDPDSA-N	347.172	1.933	50	40	EDGB	
O=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1cnccn1	11217439	JNCPKEIEVNSQNC-UHFFFAOYSA-N	341.154	1.623	50	40	EDGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCN2CCOCC2)ccc1O	16790518	TWAIOCFUGVBMEN-PTNGSMBKSA-N	345.399	1.146	50	40	EDGB	
NC(=O)COc1ccc(/C=N\NC(=O)Nc2ccc(F)cc2)cc1	408904553	LHSDTFGADBSPTQ-OCKHKDLRSA-N	330.319	1.845	50	40	EDGB	
C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)COc1ccccc1C	5711908	BSSXZUOPMZOKDJ-LFIBNONCSA-N	332.320	1.066	50	40	EDGB	
COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2cccs2)c1	13921723	CGXXEYMKMIIZFN-CXUHLZMHSA-N	333.369	1.854	50	40	EDGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1c(C)nn(CC(C)C)c1Cl	104801936	CRHMSJDNJVYKFM-LUAWRHEFSA-N	338.795	1.983	50	40	EDGB	
N#C/C(C(=O)CSc1ncccn1)=C1\NN=C2CCCCCN21	96915599	SWLSSQZOALCVFP-KAMYIIQDSA-N	328.401	1.666	50	40	EDGB	
CC1=C2CC[C@H](C)C[C@]23[C@H]2C(=O)OC(=O)[C@H]2[C@@H]1[C@H]1C(=O)OC(=O)[C@H]13	239402722	RCLQIVSRMJYTOM-QCUNZKGJSA-N	330.336	1.384	50	40	EDGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cccc([N+](=O)[O-])c1O	105510466	VNDZWIMFMIPXOP-SXGWCWSVSA-N	344.283	1.901	50	40	EDGB	
O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)c1cccs1	12602042	YLQISTTZFQREDO-UHFFFAOYSA-N	328.353	1.714	50	40	EDGB	
O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)c1ccsc1	14129585	DSQAMMZIUSNINT-UHFFFAOYSA-N	328.353	1.714	50	40	EDGB	
CC(=O)c1ccc(N(C(=O)CCl)[C@@H]2CCS(=O)(=O)C2)cc1	40177634	XEQQPINKGGWCHP-CYBMUJFWSA-N	329.805	1.648	50	40	EDGB	
CS(=O)(=O)[C@H](I)C(=O)c1ccc(F)cc1	96517921	XJDDLEUXQSGEHK-VIFPVBQESA-N	342.129	1.814	50	40	EDGB	
NC(=O)[C@H]1CC(C(=O)NNc2ccc(F)cc2)=NN1c1ccccc1	40062205	MHZZMTCKWCBSBV-OAHLLOKOSA-N	341.346	1.389	50	40	EDGB	
C[C@]1(C(=O)OCC(=O)NNC(=O)c2ccccc2)CC1(Cl)Cl	5030555	LFOBTFIUZDGDEI-CYBMUJFWSA-N	345.182	1.575	50	40	EDGB	
CSCCOC(=O)COc1ccc(/C=N/NC(=O)CC#N)cc1	20248592	MABDGYHCTYIVDF-LICLKQGHSA-N	335.385	1.335	50	40	EDGB	
CCn1c(NNC(=O)[C@@H](NC(C)=O)C(C)C)nc2ccccc2c1=O	9857046	XDNQAMMRMPACHA-AWEZNQCLSA-N	345.403	1.020	50	40	EDGB	
COCCn1c(C)cc(/C=C(\C#N)C(=O)NC2CCOCC2)c1C	98055059	MLKKHJXZLOEKQQ-LFIBNONCSA-N	331.416	1.954	50	40	EDGB	
O=C(N/N=C\c1ccc(O)cc1O)N/N=C/c1ccc(O)cc1O	17311304	AQGRVUSIDHAVKU-NIVQCIBKSA-N	330.300	1.176	50	40	EDGB	
CC1=C(C#N)C(=O)N(C)C(=O)[C@@H]1/C=C(\C#N)c1nc2ccccc2[nH]1	5396642	LMGUJNVSXGYYTE-YTRUQHMWSA-N	331.335	1.925	50	40	EDGB	
N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)NC[C@@H]1CCCO1	247253	HOMTXZZOCGPETQ-NRUITVPNSA-N	330.340	1.352	50	40	EDGB	
COC(=O)CN(CCCl)[P@]1(=O)OCCCN1CCCl	1614290	SBIKMQFSAKGUGQ-LJQANCHMSA-N	333.152	1.769	50	40	EDGB	
Nc1ccccc1C(=O)NNC(=O)/C(O)=C/C(=O)c1ccccc1	13125537	UMHVPDOHHBBXGZ-GDNBJRDFSA-N	325.324	1.355	50	40	EDGB	
O=C(CCl)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O	7986271	JDORNXWMZOGJAF-UHFFFAOYSA-N	343.770	1.752	50	40	EDGB	
CCS(=O)(=O)[C@H](Br)[C@H](O)c1cccc([N+](=O)[O-])c1	96519096	QUCRCEJGNVCEKA-ZJUUUORDSA-N	338.179	1.784	50	40	EDGB	
COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)cc(OC)c1OC	12340147	RYZXOVRVNULZTO-JYRVWZFOSA-N	332.356	1.478	50	40	EDGB	
C=CCN1C(=O)[C@H](CC(=O)O)S/C1=N/NC(=O)c1ccccc1	5377361	MTACNJNYRCTMCL-NRYCMEERSA-N	333.369	1.292	50	40	EDGB	
O=C(CBr)O[C@H]1CCC[C@@H]1OC(=O)CBr	1677851	WKEITRUAGBIINU-BQBZGAKWSA-N	343.999	1.784	50	40	EDGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cccs2)cc1OC	59516217	RYTPXJIKLTVLRF-CXUHLZMHSA-N	333.369	1.854	50	40	EDGB	
Cc1nc(C)c(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)s1	48364790	FSMPDXKSPLAMFV-LBPRGKRZSA-N	333.369	1.361	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccccc1F)c1cc2c(s1)CCC2	7379638	RZLSZBTXXQQMIJ-UHFFFAOYSA-N	340.401	1.999	50	40	EDGB	
O=C(NNS(=O)(=O)c1cnc2sccc2c1)C1CCCC1	585119116	RYOATJPOOYMEQG-UHFFFAOYSA-N	325.415	1.796	50	40	EDGB	
CC(=O)Oc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1	113177	OPUCZGKPHRBNME-AEUYPJEVSA-N	340.335	1.902	50	40	EDGB	
O=C1[C@H]2[C@@H]3C[C@H]4[C@H]([C@H](Br)C(=O)[C@@H]24)[C@@H]3[C@H]1Br	158037	ASRUXQHQIUKJHH-UUPJPTEYSA-N	334.007	1.793	50	40	EDGB	
Cc1occc1C(=O)NNC(=O)c1nc(N2CCCC2)ncc1Cl	40119536	PYDRTPGOHWGAEF-UHFFFAOYSA-N	349.778	1.706	50	40	EDGB	
C/C(CC(=O)Nc1ccccn1)=N\NC(=O)COc1ccccc1	100614059	PRJQSGKPUQYQPB-DEDYPNTBSA-N	326.356	1.981	50	40	EDGB	
COc1ccccc1OCC(=O)N/N=C/c1ccc2c(c1)OCO2	510873	BZGYSHFZCLSTBV-GIJQJNRQSA-N	328.324	1.953	50	40	EDGB	
Cn1cccc1CC(=O)N/N=C\c1cc2c(cc1[N+](=O)[O-])OCO2	5943425	KOIFWAGTOYHLKD-PXNMLYILSA-N	330.300	1.355	50	40	EDGB	
COCc1cccc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1	8141298	JHLXACSYKTYJML-UHFFFAOYSA-N	328.324	1.637	50	40	EDGB	
O=C(N/N=C\c1ccc2c(c1)OCO2)[C@H]1COc2ccccc2O1	30721870	VISGKRUDNQXYME-SHZLZMIXSA-N	326.308	1.705	50	40	EDGB	
CO/N=C(/C(=O)N/N=C/c1ccccn1)c1csc(NC(C)=O)c1	5726240	WRTNARYDPAINIY-ZBCNJIPOSA-N	345.384	1.602	50	40	EDGB	
CCOC(=O)N1CCC2(CC1)C(C#N)=C(N)Oc1n[nH]c(COC)c12	18137697	BNVZIZMHOPCJJL-UHFFFAOYSA-N	347.375	1.132	50	40	EDGB	
C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)NNC(=O)c1ccncc1	192084	JFHMONISKJLGIX-SNVBAGLBSA-N	341.396	1.900	50	40	EDGB	
COCc1n[nH]c2c1[C@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2	34939	ATZQUCCUGNUQJG-CQSZACIVSA-N	342.355	1.791	50	40	EDGB	
C#CCN1C(=O)/C(=N/NC(=O)NC)c2cc(Br)ccc21	60808931	SHJYPKSUYMQBHT-LFIBNONCSA-N	335.161	1.062	50	40	EDGB	
CCOC(=O)Cc1n[nH]c2c1[C@H](c1ccccc1F)C(C#N)=C(N)O2	500964	TUXMXDJMAQKQED-CQSZACIVSA-N	342.330	1.873	50	40	EDGB	
COc1ccc(CC(=O)NNC(=S)NC2CCCC2)cc1OC	8417360	NBFONMQTJOGKAX-UHFFFAOYSA-N	337.445	1.684	50	40	EDGB	
COc1ccc(CNC(=O)C/C(C)=N/NC(=O)c2cccnc2)cc1	100522643	RJUBHCFWMSJPOE-FYJGNVAPSA-N	340.383	1.902	50	40	EDGB	
CCN(CC)CCN/C(N)=C(C#N)\C=C1\Nc2ccccc2C1=O	17299583	BVSUNBCSXBCORK-MSAQHZNWSA-N	325.416	1.804	50	40	EDGB	
COc1ccc(C(=O)N/N=C(\C)Cn2cnc([N+](=O)[O-])n2)cc1OC	25581698	XXGIEVKEVXSVOS-CXUHLZMHSA-N	348.319	1.009	50	40	EDGB	
CCCOc1ccc(/C=C(\C#N)c2nc(N)nc(N)n2)cc1OC	32912826	XOBSMFUKARBGQN-YRNVUSSQSA-N	326.360	1.898	50	40	EDGB	
CCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccco2)s1	408729805	DENXCJNJHXSAQF-OQLLNIDSSA-N	335.389	1.953	50	40	EDGB	
N#C/C(=C/C1=Cc2ccccc2OC1)C(=O)N[C@@H]1CCS(=O)(=O)C1	1084343	CHUNHUPABYBPDJ-CKNOQMABSA-N	344.392	1.216	50	40	EDGB	
Cc1cc2c(c(=O)n1C)[C@@H](c1ccc(C(=O)O)cc1)C(C#N)=C(N)O2	20086734	URJNBXWGDWARHE-AWEZNQCLSA-N	337.335	1.610	50	40	EDGB	
O=C(CCOc1ccccc1)NNC(=O)[C@H]1COc2ccccc2O1	3292565	ONGUYUNYIQGRKZ-MRXNPFEDSA-N	342.351	1.443	50	40	EDGB	
CNC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(F)cc2)c1	408612611	WDDZCNBWZMTUAA-KEBDBYFISA-N	329.331	1.601	50	40	EDGB	
CCS(=O)(=O)[C@@H](Br)[C@H](O)c1cccc([N+](=O)[O-])c1	96519097	QUCRCEJGNVCEKA-NXEZZACHSA-N	338.179	1.784	50	40	EDGB	
O=C(N/N=C/c1ccc(C(=O)O)cc1)C(=O)NC1CCCCCC1	15224602	ROYNZVCKUWCSMH-WOJGMQOQSA-N	331.372	1.674	50	40	EDGB	
COC(=O)/C(=N/NC(=O)c1ccccc1O)[C@H](C#N)c1ccccc1	17197125	IAKGZCIZYVUMEZ-HUSAPJIJSA-N	337.335	1.958	50	40	EDGB	
CC[C@@H](Cl)Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C	158220	GCBTXQFECWBOJT-ZCFIWIBFSA-N	349.616	1.214	50	40	EDGB	
COc1ccc(/C=N/NC(=O)CC(=O)NC2CCCCC2)cc1OC	59516051	OATQHBPSHWCVTI-XDHOZWIPSA-N	347.415	1.993	50	40	EDGB	
C/C(CC(=O)C(F)(F)F)=N\NC(=O)CCN1C[C@H](C)O[C@@H](C)C1	6550600	NIXMRLUWHMCMRP-WCLGICPRSA-N	337.342	1.499	50	40	EDGB	
CC(C)c1n[nH]c2c1[C@@]1(C(=O)N(C)c3ccccc31)C(C#N)=C(N)O2	4631627	MFRBXIJBWVLUBA-SFHVURJKSA-N	335.367	1.882	50	40	EDGB	
O=C(Cn1nnc(-c2ccc(F)cc2)n1)N/N=C/c1ccc(F)cc1	408736014	ZWOYLWKQBMYLJD-DJKKODMXSA-N	342.309	1.769	50	40	EDGB	
C=CCOc1ccc(C(=O)NCCSS(C)(=O)=O)cc1OC	1616038981	ULEJPAXOHWFZII-UHFFFAOYSA-N	345.442	1.683	50	40	EDGB	
CCCn1c(=O)c2c(nc3n(CCCl)c(C)c(C)n23)n(C)c1=O	8706230	GZDXSNUENOQZOC-UHFFFAOYSA-N	337.811	1.415	50	40	EDGB	
C[C@@H](NC(=O)C(=O)N/N=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1	32923309	OGHBJSMALWFTLY-OTWJJXBCSA-N	340.339	1.922	50	40	EDGB	
CCC1=C(C(=O)OC)[C@]2(C(=O)Nc3ccccc32)C(C#N)=C(N)O1	480038	NOALMZXKAYAMQR-QGZVFWFLSA-N	325.324	1.438	50	40	EDGB	
C=CCc1cc(/C=N\NC(=O)CN2CCOCC2)cc(OC)c1OC	59247115	PMHKJIHGIUCWGF-UNOMPAQXSA-N	347.415	1.215	50	40	EDGB	
Cc1cc([N+](=O)[O-])ccc1NCCN1C[C@H](C(=O)Cl)CC1=O	45958645	SQHZTNZTCZQYIL-SNVBAGLBSA-N	325.752	1.929	50	40	EDGB	
O=C(S[C@H]1CS(=O)(=O)C[C@@H]1Cl)c1ccc([N+](=O)[O-])cc1	36719758	BTXOPYKZBLTCHE-UWVGGRQHSA-N	335.790	1.873	50	40	EDGB	
COc1cccc(C(=O)N2C[C@H](C(=O)NN)Oc3ccccc32)c1	225330824	IPKNLOPBAVBZDN-OAHLLOKOSA-N	327.340	1.093	50	40	EDGB	
C=CCN1C(=O)[C@H](CC(=O)O)S/C1=N/NC(=O)c1ccc(C)cc1	2276561	KYSZRKHKAJSUOZ-FRTIYWTKSA-N	347.396	1.601	50	40	EDGB	
CC/C(CC(=O)CCC(=O)Nc1c(C)cccc1C)=N/NC(=O)NN	5733974	DNWSTEPLOQMOLJ-BKUYFWCQSA-N	347.419	1.920	50	40	EDGB	
C/C(CC(=O)Nc1ccc2c(c1)OCO2)=N\NC(=O)c1cnccn1	100786251	JHPSSSCXJJVDIQ-KEBDBYFISA-N	341.327	1.340	50	40	EDGB	
N#Cc1cc(NC(=O)C(=O)NNC(=O)c2ccccc2)ccc1Cl	96013250	YMCIMEZIEGMCPW-UHFFFAOYSA-N	342.742	1.611	50	40	EDGB	
N#Cc1cccc([N+](=O)[O-])c1OCC(=O)NNC(=O)c1ccccc1	71922071	RIMANMQWLNNINB-UHFFFAOYSA-N	340.295	1.306	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1)c1ccccc1	226862460	LRIPQXVKTJVCQV-UHFFFAOYSA-N	339.304	1.357	50	40	EDGB	
CCN(CC)[C@H]1S[C@H]2[C@@H](CS(=O)(=O)[C@@H]2Br)S1	242688291	VMYACRIMMOHSLT-RYPBNFRJSA-N	346.337	1.978	50	40	EDGB	
O=C(NNC(=O)[C@H]1CCCO1)c1nn(-c2ccccc2)c2c1CCC2	32260200	OIQYXHUIDKAKLY-OAHLLOKOSA-N	340.383	1.301	50	40	EDGB	
O=C(Cc1cccs1)N/N=C\C=N/NC(=O)Cc1cccs1	4714544	QDPGRTLBKZTLGI-KNBRTIFXSA-N	334.426	1.799	50	40	EDGB	
Cc1cc2c(c(=O)n1CCO)[C@@H](c1cccc(F)c1)C(C#N)=C(N)O2	4851056	BCCAKVZPIZRGED-HNNXBMFYSA-N	341.342	1.506	50	40	EDGB	
CCOc1ccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1	3062149	ZPWSLRRGWLQXAI-KGENOOAVSA-N	339.395	1.894	50	40	EDGB	
O=C(Cn1ccc(C(F)(F)F)n1)N/N=C/c1ccc(O)c(O)c1O	3233449	XLNNKBCSASMGIR-YAXRCOADSA-N	344.249	1.169	50	40	EDGB	
O=C(NNC(=O)c1cc2cc(Cl)ccc2oc1=O)c1ccncc1	10384478	XTIXXQSIFPZJHW-UHFFFAOYSA-N	343.726	1.916	50	40	EDGB	
COc1ccc(/C=N\NC(=O)CC[C@H]2C(=O)NN=C2C)c(OC)c1	100334360	IZUPUFJGTVBOJL-ZLYHGVDXSA-N	332.360	1.056	50	40	EDGB	
C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)CNc1ccccc1	8710782	AQHRNDBHCNPFCU-ZDUSSCGKSA-N	338.367	1.585	50	40	EDGB	
COc1cccc(CC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1	12989177	ZCRKNBCMGLQXNX-INIZCTEOSA-N	342.351	1.225	50	40	EDGB	
Cc1cc2c(c(=O)n1CCO)[C@@H](c1ccc(F)cc1)C(C#N)=C(N)O2	4851034	ROOSYXFLQXOCHR-HNNXBMFYSA-N	341.342	1.506	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1F	319082	UVLLWSPAWAADQC-UHFFFAOYSA-N	339.304	1.357	50	40	EDGB	
CCCC(=O)Nc1nnc(CC(=O)N/N=C/c2cccc(O)c2)s1	59498750	IFFVOAUCUFHXNF-CXUHLZMHSA-N	347.400	1.675	50	40	EDGB	
Cc1ccccc1C(=O)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	1750027	QHSWXUYWVCWMMS-UHFFFAOYSA-N	344.283	1.886	50	40	EDGB	
Cc1ccc(C(=O)[C@H](I)S(C)(=O)=O)cc1	96517919	MCAXDRUUDBZJIK-SNVBAGLBSA-N	338.166	1.983	50	40	EDGB	
O=C1NC[C@H](C(=O)NNc2cnc3ccccc3n2)c2ccccc21	1624832211	BBCSVZGLTSIBKP-ZDUSSCGKSA-N	333.351	1.600	50	40	EDGB	
CC(C)C(=O)NNC(=O)c1cn(-c2ccccc2C(F)(F)F)nn1	32673872	KOSRGECGXSYATH-UHFFFAOYSA-N	341.293	1.703	50	40	EDGB	
O=C(NN[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccccc1	100572053	VSZWSQHHVDRNCT-AWEZNQCLSA-N	343.770	1.907	50	40	EDGB	
Cc1cccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1	1750057	DMWSLJDCRGODEW-UHFFFAOYSA-N	344.283	1.886	50	40	EDGB	
O=C(C=C(C1CC1)C1CC1)NNC(=O)[C@H]1COc2ccccc2O1	54871294	AQBPCMWVJHDFMT-MRXNPFEDSA-N	328.368	1.720	50	40	EDGB	
COc1ccc(C(=O)NNC(=O)CCOc2ccccc2OC)cc1	3346422	HDBBVSDCBRTEKZ-UHFFFAOYSA-N	344.367	1.934	50	40	EDGB	
O=C(CCl)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21	12504950	BTCDUTBHRGKFJH-UHFFFAOYSA-N	342.848	1.989	50	40	EDGB	
Cc1nc([N+](=O)[O-])cn1CC(Cl)Cn1cc([N+](=O)[O-])nc1C	13212326	NNJKPNBLEZMCGA-UHFFFAOYSA-N	328.716	1.820	50	40	EDGB	
COc1ccc(OC)c([C@@]2(F)OC(N)=C(C#N)C2=C(C#N)C#N)c1	100252791	UJXDXWXUOWHVPM-MRXNPFEDSA-N	326.287	1.894	50	40	EDGB	
COc1cc(/C(N)=N/NC(=O)c2ccc(N)cc2)cc(OC)c1OC	32616714	QJRSFRMNMCVABU-UHFFFAOYSA-N	344.371	1.345	50	40	EDGB	
Cc1ccnc(N2CCC(C(=O)NNC(=O)c3ccccc3)CC2)n1	4965970	KVEFJTAZTYNPOO-UHFFFAOYSA-N	339.399	1.463	50	40	EDGB	
CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N\Nc1cc(C)ccc1C	18057322	MPNBVKCFTIWWMK-HKWRFOASSA-N	326.356	1.273	50	40	EDGB	
O=C(CNC(=O)c1ccccc1)N/N=C/c1ccc2c(c1)OCO2	1573526	RAADGVXFWQCCLG-DJKKODMXSA-N	325.324	1.295	50	40	EDGB	
CC(C)C(=O)NNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O	12601757	AHPISOJIDOUHMB-NSHDSACASA-N	341.820	1.946	50	40	EDGB	
CCN(CC)S(=O)(=O)c1ccc(C)c(N2C(=O)CC(C#N)=C2N)c1	6590519	PGLOJAOWMNJBLC-UHFFFAOYSA-N	348.428	1.456	50	40	EDGB	
Cc1cc(C(=O)NNC(=S)NC[C@H]2CCCO2)c2ccccc2n1	16188721	KUVUFTSVBBDOBS-GFCCVEGCSA-N	344.440	1.831	50	40	EDGB	
O=C(Cc1nc(-c2ccccc2)n[nH]1)N/N=C/c1ccc2c(c1)OCO2	408729645	BQHPCOYPSYFLNC-VXLYETTFSA-N	349.350	1.893	50	40	EDGB	
Nc1ccc(C(=O)NN2C(=O)[C@@H](Cl)[C@@H]2c2cccc(O)c2)cc1	5580719	DLROLMYUVONQJA-KBPBESRZSA-N	331.759	1.810	50	40	EDGB	
N#CC1=C(SCC(N)=O)N[C@H](N)[C@@H](C#N)[C@@H]1c1ccccc1Cl	19948518	FROLKSMEZVGXGF-HERUPUMHSA-N	347.831	1.405	50	40	EDGB	
O=C(Cn1nnc2ccccc21)NNC(=S)Nc1ccc(F)cc1	383358	ICADMNLDXYCYNG-UHFFFAOYSA-N	344.375	1.588	50	40	EDGB	
COCCNC(=S)NNC(=O)c1cccc(Br)c1	7062651	GOIMKFBFQCOJPS-UHFFFAOYSA-N	332.223	1.204	50	40	EDGB	
C=CCN1C(=O)/C(=C\NNC(=O)c2ccccc2)C(O)=NC1=S	34210494	KBSXHTYLEGGQCD-LUAWRHEFSA-N	330.369	1.075	50	40	EDGB	
CC(C)[C@@H]1N(C(=O)CCl)CCN1S(=O)(=O)c1ccccc1	4778621	RGIQEBKDFDKYGT-CQSZACIVSA-N	330.837	1.740	50	40	EDGB	
COc1ccc([C@@H]2C(C#N)=C(N)O[C@@H]3NN=C(C(F)(F)F)[C@H]32)cc1	5513970	WYEWJZSHVXDDKU-GYSYKLTISA-N	338.289	1.967	50	40	EDGB	
CCC(=O)NNc1nc2sc3c(c2c(=O)n1C)CC(C)(C)OC3	497257	ISROBCSIPKIAJT-UHFFFAOYSA-N	336.417	1.699	50	40	EDGB	
CC(C)(C)NC(=S)NNC(=O)COc1cccc2cccnc12	408585357	FMQIFFKSMVBZRO-UHFFFAOYSA-N	332.429	1.907	50	40	EDGB	
C[C@@H](C(=O)NNC(=O)[C@@H]1C(=O)Nc2ccccc2C1=O)C(C)(C)C	585087881	ZLYLNZXXJAUQDY-CABZTGNLSA-N	331.372	1.267	50	40	EDGB	
COc1cc([N+](=O)[O-])ccc1/N=C/[C@@H]1C(=O)N(C)C(=O)C(C#N)=C1C	5415956	OPZCSHZANGUMDZ-MEBUONCMSA-N	342.311	1.761	50	40	EDGB	
O=C(/C=C/c1ccccc1)NCC(=O)N/N=C/c1ccc(O)cc1O	102411203	WSIQUHMTOGAROP-ZTXDFWGGSA-N	339.351	1.378	50	40	EDGB	
O=C(NNC(=S)N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccc2c(c1)OCO2	102376880	NJPLNIZOYZXSDJ-CKYFFXLPSA-N	333.413	1.713	50	40	EDGB	
CC(=O)N[C@@H](C(=O)NNC(=O)c1ccc(OC(C)C)cc1)C(C)C	14244392	UVKVNCMTKUMRTQ-OAHLLOKOSA-N	335.404	1.396	50	40	EDGB	
C[C@]12O[C@H]([C@H]3C(=O)OC(=O)[C@@H]31)[C@H](Br)[C@@H]2Br	98048855	LIWROZKJGNEHRM-BTBBMBBASA-N	339.967	1.000	50	40	EDGB	
COc1nn([C@H](C)C(=O)N/N=C/c2ccc(F)s2)cc1[N+](=O)[O-]	252509675	YTHSYTBKDVLJIU-LTCVEOEISA-N	341.324	1.712	50	40	EDGB	
BrCC1OCC2(CO1)COC(CBr)OC2	338685	BKNLRROAVXJIES-UHFFFAOYSA-N	346.015	1.508	50	40	EDGB	
C[C@@]1(C(=O)NNC(=O)c2ccc3c(c2)OCO3)CC1(Cl)Cl	33028652	KRFDPSVJRYXXGJ-LBPRGKRZSA-N	331.155	1.760	50	40	EDGB	
COC(=O)C1=C2S[C@@H](C)C(=O)N2C(N)=C(C#N)[C@@H]1c1ccco1	533674	FCNRYZREPKWHOQ-OIBJUYFYSA-N	331.353	1.419	50	40	EDGB	
O=C(CCC(=O)NNC(=O)c1ccc(F)cc1)NCc1ccccc1	6282043	VKSXMAZSCMHCIN-UHFFFAOYSA-N	343.358	1.683	50	40	EDGB	
CCn1nc(C(=O)NNC(=O)C[C@H]2C=CCC2)c2ccccc2c1=O	8241451	OMICIHGROCBQNB-LBPRGKRZSA-N	340.383	1.534	50	40	EDGB	
C[C@@H](NC(=O)C(=O)N/N=C/c1ccccc1[N+](=O)[O-])c1ccccc1	59515404	FKDMCUUJIDXLPP-MBNTZHJCSA-N	340.339	1.922	50	40	EDGB	
COc1ccc2c(c1)/C(=N\NC(=O)COc1ccccc1C)C(=O)N2	59472614	ZBWPYMZPMCSLEH-UHFFFAOYSA-N	339.351	1.855	50	40	EDGB	
Cc1cccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1	68933311	IVICHPPDVIMLLT-OAHLLOKOSA-N	337.379	1.809	50	40	EDGB	
O=C(NNC(=O)c1ccccn1)c1cccc(CN2CCCC2=O)c1	7909967	BTYJNPXELJDQKL-UHFFFAOYSA-N	338.367	1.279	50	40	EDGB	
COc1cccc(/C=C(\C#N)C(=O)N2CCCC2)c1OCC(=O)O	409371870	LGGOHRXFAPTWJT-UKTHLTGXSA-N	330.340	1.688	50	40	EDGB	
COc1ccc(CCNC(=O)CC(=O)NN=C2CCCC2)cc1OC	408973301	LHWVLWRVMDNYCD-UHFFFAOYSA-N	347.415	1.799	50	40	EDGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc2c(c1)OCO2	408729128	XRHKPGUGPKJFBR-QGMBQPNBSA-N	326.308	1.837	50	40	EDGB	
N#Cc1ccccc1-c1nnnn1CC(=O)N/N=C/c1ccccc1	3038743	MSYWPTQEAGOZCV-YBFXNURJSA-N	331.339	1.362	50	40	EDGB	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccc(Cl)cc1	972495	WZVAMYCCBUPIPM-CQSZACIVSA-N	332.743	1.941	50	40	EDGB	
C=CCc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCC	59247085	IPJQPZBILISGCS-UYRXBGFRSA-N	331.416	1.596	50	40	EDGB	
O=C(N/N=C/c1ccc(O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	58885153	HVWMZXZWNGZSCI-CXUHLZMHSA-N	328.284	1.389	50	40	EDGB	
Cc1cc(OCC(=O)NNC(=O)CCCC(=O)O)cc(C)c1Cl	2110884	YXQZWGZMUJAOOI-UHFFFAOYSA-N	342.779	1.738	50	40	EDGB	
CN(NC(=O)CCN1C(=O)COc2ccccc21)c1ccccc1	8358637	QBZRAFUNYRBBSD-UHFFFAOYSA-N	325.368	1.970	50	40	EDGB	
O=C(NNC(=O)c1ccc(=O)[nH]c1)c1ccc(Br)cc1	9913480	KFJAPPBFKIZMOH-UHFFFAOYSA-N	336.145	1.212	50	40	EDGB	
N#CC(C#N)=C/C(C#N)=C(/N)N1CCN(c2cccc(Cl)n2)CC1	100424103	NTKJGFIWGBMTCA-DTQAZKPQSA-N	339.790	1.524	50	40	EDGB	
COCCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2ccc(O)cc2)C1=O	5021821	KNJVMPCIWFCBOE-WJDWOHSUSA-N	341.367	1.933	50	40	EDGB	
O=C(NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2)c1ccc(Cl)cc1	4651761	ZHLDZBFPGAIYNY-DNIRFERGSA-N	336.775	1.848	50	40	EDGB	
CCOC(=O)N[C@@]1(C(Cl)Cl)N=C(c2ccccc2)NC1=O	101426480	GUFCRRDONJWVTO-CYBMUJFWSA-N	330.171	1.809	50	40	EDGB	
CCN1C(=O)/C(=N\NC(=O)COc2ccc(C#N)cc2)c2ccccc21	102417903	LNHPFUZSEAQHJB-PYCFMQQDSA-N	348.362	1.824	50	40	EDGB	
CNC(=O)NNC(=O)c1c(-n2cccc2)sc2c1CCSC2	56375420	KMORWRFPNSJWSG-UHFFFAOYSA-N	336.442	1.902	50	40	EDGB	
O=C(Cc1nnc(NC(=O)CCl)s1)N/N=C/c1ccccc1	408731690	PCHQLGHJHVRJTR-OVCLIPMQSA-N	337.792	1.408	50	40	EDGB	
CCc1nnsc1C(=O)NNC(=O)C(F)(F)Oc1ccccc1	95961210	UTQRLPNPJKQUSR-UHFFFAOYSA-N	342.327	1.533	50	40	EDGB	
Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)NN)C2)c(C)c1	6201369	LTIPOMYYFQTBPT-CYBMUJFWSA-N	325.434	1.002	50	40	EDGB	
CCc1nnc(NNC(=O)c2ccccc2Br)nc1O	28561619	MQBYSTYTICQYAU-UHFFFAOYSA-N	338.165	1.659	50	40	EDGB	
COc1ccc(C(=O)NNC(=O)COc2cccc(C)c2)c(OC)c1	12764020	OYANPURDTSVAOI-UHFFFAOYSA-N	344.367	1.852	50	40	EDGB	
COC(=O)NNC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1	48538583	DGZAGUHFHCXUHH-UWVGGRQHSA-N	340.355	1.832	50	40	EDGB	
C[C@@]1(C(=O)OCC(=O)NNC(=O)c2ccccc2)CC1(Cl)Cl	5030560	LFOBTFIUZDGDEI-ZDUSSCGKSA-N	345.182	1.575	50	40	EDGB	
CNc1ccc(/C(C)=N\NC(=O)c2nc3nc(C)cc(C)n3n2)cc1	4332052	KWKQSJZVBDGYEQ-MTJSOVHGSA-N	337.387	1.937	50	40	EDGB	
N#C/C(=C/c1cccc(OCC(N)=O)c1)C(=O)Nc1ccc(O)cc1	409221734	AIFPJRWKPWMJTL-JYRVWZFOSA-N	337.335	1.802	50	40	EDGB	
O=C(NNC(=O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)O)c1cccc(Cl)c1	13138886	YNIJWSOZPHETTQ-GAQJKIJGSA-N	336.775	1.848	50	40	EDGB	
O=[N+]([O-])c1ccc(NC(=S)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)cc1	12421695	ONRDULAKFFGHST-NXEZZACHSA-N	349.821	1.286	50	40	EDGB	
CCc1ccc(S(=O)(=O)NS(=O)(=O)CCCCCl)cc1	3190978	WBHJYBDUUOAOAK-UHFFFAOYSA-N	339.866	1.876	50	40	EDGB	
N#Cc1ccccc1S(=O)(=O)NNC(=O)c1cc2c(s1)CCC2	12921744	ZNZVLGUJSCXPMP-UHFFFAOYSA-N	347.421	1.732	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)/C=C/C(=O)O)cc1Br	6033078	NWRPAMYNZCXZHU-SNAWJCMRSA-N	327.134	1.159	50	40	EDGB	
O=C(N/N=C1\C(=O)N(C2CSC2)c2c(F)cc(F)cc21)C1CC1	223750246	QSJBGMAGDRHKIX-PDGQHHTCSA-N	337.351	1.657	50	40	EDGB	
COc1cc(/C=N/NC(=O)C(N)=O)ccc1OCc1ccccc1	3575393	NCBONHVTYYWXFR-VXLYETTFSA-N	327.340	1.210	50	40	EDGB	
O=C(N/N=C1/C(=O)Nc2ccccc21)/C(=C\c1ccccc1)CCO	6557564	VSQMLEFSIMZWIJ-OWBHPGMISA-N	335.363	1.925	50	40	EDGB	
NNC(=O)/C(NC(=O)c1ccccc1)=C(/N)c1ccc(Cl)cc1	104284047	GDROIRRDKDPMSV-YPKPFQOOSA-N	330.775	1.387	50	40	EDGB	
CN(C)N(C(=O)c1cccc(-n2cccc2)c1)[C@@H]1CCS(=O)(=O)C1	12606017	QTPYKNUJXMSDIK-MRXNPFEDSA-N	347.440	1.583	50	40	EDGB	
Cc1ccn2ncc(C(=O)NNC(=O)c3cn(C)c4ccccc34)c2n1	65622868	CQQJDFACCIMTHP-UHFFFAOYSA-N	348.366	1.604	50	40	EDGB	
Cc1ccc(C)c(OCC(=O)NNC(=O)CCCC(=O)N(C)C)c1	72284128	KAIRGHXQZAFNGN-UHFFFAOYSA-N	335.404	1.088	50	40	EDGB	
COc1ccccc1N1C(=O)C[C@@H](NNC(=O)c2ccccc2)C1=O	100097087	KXPJVVKZPQYPNH-CYBMUJFWSA-N	339.351	1.262	50	40	EDGB	
CCOc1cc(C=C(C#N)C#N)ccc1OCC(=O)N1CCOCC1	783844	ACJPCSCNLVBZHA-UHFFFAOYSA-N	341.367	1.753	50	40	EDGB	
O=C(NNC(=O)c1ccccc1O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	3101209	HIWYVJSVGFIGDZ-UHFFFAOYSA-N	346.255	1.283	50	40	EDGB	
O=C(COC(=O)/C=C/c1cccc(F)c1)NNC(=O)c1ccccc1	3298018	PYBGTGLDMFFAGH-MDZDMXLPSA-N	342.326	1.843	50	40	EDGB	
CC(=O)c1ccc(OCCCC(=O)NNC(=O)c2ccccn2)cc1	8315990	CYEQGHSOYYFZLY-UHFFFAOYSA-N	341.367	1.904	50	40	EDGB	
O=S1(=O)C[C@@H](Cl)[C@H](NC(=S)OC[C@@H](Cl)CCl)C1	225703347	BHUPKUYAZIKGBS-RRKCRQDMSA-N	340.681	1.128	50	40	EDGB	
O=C(O)[C@H]1C[C@H](Br)[C@H](Br)C[C@@H]1C(=O)O	5103425	XXADRWGJEKUZPR-OMMKOOBNSA-N	329.972	1.709	50	40	EDGB	
Nc1ccccc1C(=O)N/N=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21	13124204	KGUBSZVUIBZAIL-UHFFFAOYSA-N	325.284	1.263	50	40	EDGB	
CCOC(=O)c1nc2c([nH]1)OC(N)=C(C#N)[C@@H]2c1ccc(F)cc1	5686414	GFNWKJBTCUIJBN-NSHDSACASA-N	328.303	1.944	50	40	EDGB	
Cc1cc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c(C)o1	3621519	GZLNKAHRTZLAPX-UHFFFAOYSA-N	340.339	1.218	50	40	EDGB	
Cc1ccccc1OCC(=O)NNC(=O)[C@H]1CCCC[C@@H]1C(=O)O	357357	FQJWJPZPMYPOQV-STQMWFEESA-N	334.372	1.412	50	40	EDGB	
C[C@H](Cl)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	2650166	LBTLDDGGEPEYCT-JTQLQIEISA-N	332.809	1.273	50	40	EDGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCNCC1)[C@@H](Br)C2=O	108624932	MMPGHLULZXDWJQ-VQISRLSMSA-N	343.265	1.577	50	40	EDGB	
O=C(CC(=O)N/N=C\c1cccc([N+](=O)[O-])c1)NCc1ccccc1	408751968	DFZNYWPCLYCQSB-UNOMPAQXSA-N	340.339	1.751	50	40	EDGB	
O=C(Nc1nc2ccccc2s1)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl	575424421	LARLOCXXIHYURA-IONNQARKSA-N	345.833	1.822	50	40	EDGB	
Cc1ccc(C(=O)NN[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1	18181307	DBTLZDYMVNCUFB-HNNXBMFYSA-N	341.342	1.701	50	40	EDGB	
COc1ccc(O)c(/C=N/NC(=O)Cn2nnc3ccccc32)c1	58581	LTUWHZKIEXZNCT-RQZCQDPDSA-N	325.328	1.296	50	40	EDGB	
CCOc1ccc(CC(=O)NNC(=S)NC2CC2)cc1OCC	2788719	XTMOEICHIWPCRB-UHFFFAOYSA-N	337.445	1.684	50	40	EDGB	
COC(=O)CSC1=C(C#N)[C@H](c2ccc([N+](=O)[O-])cc2)CC(=O)N1	1840560	IZXBQKFFNPGOCW-NSHDSACASA-N	347.352	1.840	50	40	EDGB	
CCOc1ccc(C(=O)NNS(=O)(=O)c2ccc(F)cc2)cc1	7519988	UNERFYCSBMDUKH-UHFFFAOYSA-N	338.360	1.848	50	40	EDGB	
CCOc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1OCC	19797812	VVTQVRQIWILCLJ-LDADJPATSA-N	335.404	1.266	50	40	EDGB	
Cc1cc(C(=O)N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)n[nH]1	38178585	YQUUEQZZLNDUPA-WLRTZDKTSA-N	334.248	1.004	50	40	EDGB	
COc1cccc(-c2nc(C)cc(N3CCC(C(=O)NN)CC3)n2)c1	223466197	WDTUXYRWYOBOSM-UHFFFAOYSA-N	341.415	1.667	50	40	EDGB	
O=C(NCc1ccccc1)C(=O)N/N=C/c1ccccc1[N+](=O)[O-]	5603235	OHNHFYQWHPENKD-WOJGMQOQSA-N	326.312	1.361	50	40	EDGB	
COc1ccc(C)cc1NC(=O)c1ccc(OCC(=O)NN)cc1	148407	NDLIRRVSZRXIIY-UHFFFAOYSA-N	329.356	1.625	50	40	EDGB	
CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccccc2)c1	2616746	JXXIFMFJUWEZQW-UHFFFAOYSA-N	347.396	1.012	50	40	EDGB	
CC(=O)NNC(=S)N/C=C(/C#N)C(=O)c1ccc2ccccc2c1	104304905	RTWVCJYIMBPGLW-GDNBJRDFSA-N	338.392	1.945	50	40	EDGB	
CCc1ccc(C(=O)NNC(=O)[C@H](C)NC(=O)c2ccco2)cc1	6561564	JGPVGZZHSNDBDB-NSHDSACASA-N	329.356	1.422	50	40	EDGB	
Cc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)cn1	9948787	KMWODDCFQBEHAA-APSNUPSMSA-N	345.271	1.676	50	40	EDGB	
CNC(=S)/C(C#N)=C(\N)N1CCN(c2ccc(OC)cc2)CC1	100272869	FRUNDZPTAHZHDA-CCEZHUSRSA-N	331.445	1.058	50	40	EDGB	
COc1ccc(C(=O)NNC(=O)COc2ccccc2C)cc1OC	44467	CHIIMHKUDSBCIQ-UHFFFAOYSA-N	344.367	1.852	50	40	EDGB	
COc1ccc(/C=C(\NC(=O)c2cccs2)C(=O)NN)cc1OC	4856626	NASQCRQPULOMCM-FLIBITNWSA-N	347.396	1.526	50	40	EDGB	
CCO[C@@H](CC)C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1	48285895	DQOZBDKFKMMLSX-NSHDSACASA-N	340.376	1.289	50	40	EDGB	
COc1ccccc1OCC(=O)N/N=C\c1ccc(O)c([N+](=O)[O-])c1	408961470	CLFKJCFALASDMW-MFOYZWKCSA-N	345.311	1.838	50	40	EDGB	
COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OC	18115898	ZMOAGRAGSUCGHV-HNNXBMFYSA-N	342.355	1.962	50	40	EDGB	
CC(=O)c1cccc(NC(=O)C(=O)[C@@H](C(=O)NN)c2ccccc2)c1	5713172	YUWYMRDWXUCODA-HNNXBMFYSA-N	339.351	1.171	50	40	EDGB	
CC(=O)OC[C@H]1[C@H]2C[C@@H]3[C@@H](OC(=O)[C@@H]31)[C@H]2I	17111772	GKYCWSYKPXPGKN-ODCFRURGSA-N	336.125	1.161	50	40	EDGB	
CN(C)c1ccc(/C=N/NC(=O)Cn2cnc3ccccc3c2=O)cc1	141402	WTXHMUXSXLDBER-SRZZPIQSSA-N	349.394	1.613	50	40	EDGB	
COc1ccc(CC(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)O)cc1	358760	YCAQBNNQXNGGRP-UONOGXRCSA-N	334.372	1.276	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)CSc2nnc(C3CC3)n2C)cc1	410908	JHSFVUPQKBDQTL-UHFFFAOYSA-N	345.428	1.554	50	40	EDGB	
Cc1cccc(C)c1OCC(=O)NCC(=O)N/N=C\c1ccncc1	33362771	USTGQPFQHRSGSF-FBHDLOMBSA-N	340.383	1.344	50	40	EDGB	
COc1ccc(NCC(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1	7008711	XVQLNSGFUWCWOB-VXLYETTFSA-N	327.340	1.956	50	40	EDGB	
O=C(N/N=C/c1ccc(C(=O)O)cc1)C(=O)Nc1ccccc1F	59434088	YNSQLOXBLYCMAG-GIJQJNRQSA-N	329.287	1.613	50	40	EDGB	
Cn1nc(C(=O)NNC(=O)/C=C/c2ccco2)c2ccccc2c1=O	3557590	XHSTYJQJBRWNDG-CMDGGOBGSA-N	338.323	1.001	50	40	EDGB	
O=C(CCN1CCN(c2ccccc2)CC1)N/N=C/c1cccnc1	5814051	PAYCDBCAFMXABI-LTGZKZEYSA-N	337.427	1.744	50	40	EDGB	
CCOC(=O)/C(C#N)=C(/S)NNC(=O)c1ccc(Cl)cc1	16681972	NQENQBGVCLDGLU-ZRDIBKRKSA-N	325.777	1.802	50	40	EDGB	
CCOc1cc(/C=C(\C#N)C(=O)NC2CC2)ccc1OCC(N)=O	2768744	YDZNXZNVYFRFPX-KPKJPENVSA-N	329.356	1.135	50	40	EDGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2O)cc1	7812944	JENRALJGZXVGMW-YBFXNURJSA-N	327.340	1.167	50	40	EDGB	
CC1(C)[C@]2(C)CC[C@]1(C(=O)NNC(=O)COc1ccccc1)OC2=O	100260555	JIEJAONKFLGRJT-QZTJIDSGSA-N	346.383	1.335	50	40	EDGB	
Nc1ccnc(CNS(=O)(=O)c2ccc(CCCCl)cc2)n1	84397987	XJLMPUUQDULDON-UHFFFAOYSA-N	340.836	1.709	50	40	EDGB	
CC1=NN(C(=O)c2cccnc2)[C@](C)(NNC(=O)c2cccnc2)C1	282673	GUUBIFMBZMVKRT-KRWDZBQOSA-N	338.371	1.349	50	40	EDGB	
CN(CC(=O)N/N=C/c1ccccc1)S(=O)(=O)c1ccccc1	6544605	KSHLPQVKVZJXNO-SFQUDFHCSA-N	331.397	1.457	50	40	EDGB	
COc1cccc(/C=N/NC(=O)CC(=O)NC2CCCCC2)c1O	4525695	RZNUVOYCSDAYHA-WOJGMQOQSA-N	333.388	1.690	50	40	EDGB	
O=C(NC(=S)NNC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1cccnc1	16039438	HLPISEZOPXIFAY-ZIAGYGMSSA-N	340.408	1.521	50	40	EDGB	
CCOc1ccccc1N/N=C1/C(=O)N(CCO)C(=O)C(C#N)=C1C	101155408	PITZXSDUWHUBGP-HMMYKYKNSA-N	342.355	1.054	50	40	EDGB	
O=C(NNC(=S)N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccc2c(c1)OCO2	102376884	NJPLNIZOYZXSDJ-FOGDFJRCSA-N	333.413	1.713	50	40	EDGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(O)c2)cc1	59434357	PHPFLHZKSXGGKQ-YBFXNURJSA-N	327.340	1.167	50	40	EDGB	
COCCNC(=S)NNC(=O)c1cc2cc(Cl)ccc2o1	408588061	WUIYQBALGWXNDF-UHFFFAOYSA-N	327.793	1.842	50	40	EDGB	
C#CCN1C(=O)/C(=N/NC(=O)CC)c2cc(Br)ccc21	57779371	JZZFPOKMXLRGAO-GHRIWEEISA-N	334.173	1.659	50	40	EDGB	
O=C(O)COc1ccccc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1	14010319	PDCGGZBAATURSH-MFOYZWKCSA-N	343.295	1.822	50	40	EDGB	
COc1ccc([C@H]2C(C#N)(C#N)[C@@]2(C#N)C(N)=C(C#N)C#N)cc1OC	14944935	QGKWENUGZHOGNP-MAUKXSAKSA-N	344.334	1.605	50	40	EDGB	
CC(=O)N[C@@H](CSc1cc(C)nc2ccc(F)cc12)C(=O)NN	20719771	YMZVVZWUMVVJRH-ZDUSSCGKSA-N	336.392	1.269	50	40	EDGB	
CCOc1cccc(C(=O)NNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)c1	102201908	NZXPDTQRUPAFTC-GVARAGBVSA-N	346.383	1.593	50	40	EDGB	
COC(=O)CNC(=O)c1ccc(N(CCCl)CCCl)cc1	1736839	CVGNEVFSNQSPAB-UHFFFAOYSA-N	333.215	1.873	50	40	EDGB	
COc1ccccc1C(=O)OCC(=O)NNC(=O)c1ccccc1	3523547	QTZCZMQDPDHPEM-UHFFFAOYSA-N	328.324	1.313	50	40	EDGB	
O=C1NC(=O)C(=Cc2ccccc2OCCBr)C(=O)N1	4590777	OGBUNPIAJZGLLF-UHFFFAOYSA-N	339.145	1.210	50	40	EDGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccco1	409067137	JNLZXTMPRCSKBJ-GZTJUZNOSA-N	344.327	1.788	50	40	EDGB	
Cc1ccn2ncc(C(=O)NNC(=O)c3ccc(Cl)cc3)c2n1	68644377	ONGOYCBAGQRVCM-UHFFFAOYSA-N	329.747	1.766	50	40	EDGB	
COc1ccc(C(=O)NNC2=NS(=O)(=O)c3ccccc32)cc1	5720451	GNXFECWMYXZVJO-UHFFFAOYSA-N	331.353	1.079	50	40	EDGB	
NC(=O)N/N=C/c1ccccc1OCC(=O)NCc1ccccc1	371414	JMRCQFYZTJWDDQ-RGVLZGJSSA-N	326.356	1.384	50	40	EDGB	
COc1ccc(/C=N\NC(=O)c2ccncc2)c(C(=O)O)c1OC	8576523	HSYFNANHKYNZNI-NVMNQCDNSA-N	329.312	1.561	50	40	EDGB	
N#CC1=C(SCC(=O)N2CCCC2)NC(=O)C[C@@H]1c1ccco1	409123241	AYRWSFCHDAJUQB-NSHDSACASA-N	331.397	1.974	50	40	EDGB	
NC(=O)N/N=C1\CC[C@@H](OC(=O)c2ccccc2)C[C@H]1CC(=O)O	33849208	MICMAEWJZRQTPB-HAGVPZETSA-N	333.344	1.511	50	40	EDGB	
C[C@H](C(=O)NNC(=O)[C@@H]1C(=O)Nc2ccccc2C1=O)C(C)(C)C	585087883	ZLYLNZXXJAUQDY-SKDRFNHKSA-N	331.372	1.267	50	40	EDGB	
COc1c(O)ccc(/C=N/NC(=O)CNc2ccccc2)c1[N+](=O)[O-]	43237	SHGFAMLKFCKJQO-GIJQJNRQSA-N	344.327	1.871	50	40	EDGB	
CCNc1nc(Cl)nc(NNC(=O)[C@H](C)Oc2ccccc2)n1	360600	YUVHOEPYVDSSLC-VIFPVBQESA-N	336.783	1.867	50	40	EDGB	
N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)OCCN1CCCC1=O	3258354	WXVQVUKLICCMIO-JYRVWZFOSA-N	328.324	1.488	50	40	EDGB	
O=C1NC[C@@H](c2ccccc2)[C@H]1C(=O)N/N=C/c1ccc([N+](=O)[O-])o1	4504212	PLNNXJWQHDXJCI-VPFOOSCISA-N	342.311	1.168	50	40	EDGB	
COC(=O)N/N=C/c1ccc(OC)c(I)c1	4592243	SKZWYWLSYGHFRR-WUXMJOGZSA-N	334.113	1.990	50	40	EDGB	
COc1ccc([C@H]2Nc3ncnn3C(N)=C2C#N)c(OC)c1OC	18199195	FLTNSIMREDORGM-LLVKDONJSA-N	328.332	1.122	50	40	EDGB	
Cc1cnn(Cc2cc(C(=O)NNC(=O)c3cccc(O)c3)no2)c1	89702518	SKZXXQLGLFBWNY-UHFFFAOYSA-N	341.327	1.008	50	40	EDGB	
COc1ccc(O)c(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)c1	409180107	VTNUMYICWBOMGG-UFWORHAWSA-N	343.339	1.692	50	40	EDGB	
O=CN[C@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O	1669712	ZPOLNCDBPYJDSE-CYBMUJFWSA-N	333.215	1.712	50	40	EDGB	
O=C(COc1ccccc1)NNC(=S)NC(=O)c1ccccc1	2690693	GSYIESJGLLVARB-UHFFFAOYSA-N	329.381	1.401	50	40	EDGB	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1cccc[n+]1[O-]	47295461	JBQOXMRYZHHFPY-UHFFFAOYSA-N	329.400	1.688	50	40	EDGB	
CCOc1ccc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1	12849152	YOYFJVRVFXOTAO-MRXNPFEDSA-N	342.351	1.686	50	40	EDGB	
O=C(NN[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1=O)c1ccccc1	20634731	ZJOPJEKWJITQOU-AWEZNQCLSA-N	345.305	1.531	50	40	EDGB	
CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N\Nc1cccc(Cl)c1C	18096281	RSXQBPOUDUEDHQ-ZHZULCJRSA-N	346.774	1.618	50	40	EDGB	biogenic,in-vitro
CS(=O)(=O)SCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	1616037526	CGTOCIHJXCXLOC-UHFFFAOYSA-N	338.794	1.671	50	40	EDGB	
COc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccc(C)cc1	4838862	ZTVBMINRDSDOEA-UHFFFAOYSA-N	327.340	1.403	50	40	EDGB	
CCOc1ccc(NC(=O)CCC(=O)NNC(=O)C(F)(F)F)cc1	5873331	KJYNINMIESBJAG-UHFFFAOYSA-N	347.293	1.514	50	40	EDGB	
COc1cccc(/C=N\NC(=O)Cn2nnc3ccccc32)c1O	12371626	QSOGEDRBCVGYCO-MFOYZWKCSA-N	325.328	1.296	50	40	EDGB	
CC(C)(C)c1ccc(OCC(=O)NNC(=O)CCCC(=O)O)cc1	2789352	UEMKHNHWZBLSKC-UHFFFAOYSA-N	336.388	1.765	50	40	EDGB	
O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1	101310976	ZKYCMLQDQOHVIC-ACYQTWATSA-N	344.845	1.527	50	40	EDGB	
O=C(CNC(=O)c1ccc(F)cc1)NNC(=O)c1ccc(Cl)cc1	27639300	WXPWGWXUXQFAGF-UHFFFAOYSA-N	349.749	1.670	50	40	EDGB	
C/C(Cn1nccc1C)=N\NC(=O)c1cc(C)nc2c1c(C)nn2C	17071104	IMJOSMOLCZMEEB-RGVLZGJSSA-N	339.403	1.896	50	40	EDGB	
CCn1ncc(/C=N/NC(=O)c2cc(-c3cn(C)nc3C)on2)c1F	252479769	BMRPPPRLJPERTC-UBKPWBPPSA-N	345.338	1.503	50	40	EDGB	
Cc1ccc(O)c(/C=N/NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)c1	4578025	USAUYBQMCJBALV-FFEBISOMSA-N	337.379	1.681	50	40	EDGB	
O=C(COc1ccc(Cl)cc1)NCC(=O)N/N=C/c1ccccc1	4079692	SWHZFJPGWVFKOM-KEBDBYFISA-N	345.786	1.985	50	40	EDGB	
CNC(=O)/C(C#N)=C\c1cc(Br)c(N2CCOCC2)o1	59249741	ONLXXHLBXMMZQU-TWGQIWQCSA-N	340.177	1.532	50	40	EDGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c1OC	59506873	ZQNKDDALQLEDKH-VXLYETTFSA-N	345.330	1.932	50	40	EDGB	
COc1ccc(OC)c(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c1	40846489	MJZNJTNUJSOBTK-OXNWSPOFSA-N	342.351	1.994	50	40	EDGB	
COC1=CC(=O)C([C@@H](C)c2ccc(OC)cc2)=C/C1=N\NC(N)=O	17131262	KRSQYVABVBHTPJ-SADREPLXSA-N	329.356	1.862	50	40	EDGB	
COc1ccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)NC(C)=C2C#N)cc1	4581038	VUPBEHOAOTWLRR-CQSZACIVSA-N	339.273	1.653	50	40	EDGB	
COc1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)c(OC)c1	7782450	IABPQDJQALOUNL-GIJQJNRQSA-N	331.328	1.063	50	40	EDGB	
O=C(NNC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)c1ccccc1O	102181485	YAMSDDVNMHFDCN-SKLAPFLYSA-N	330.384	1.485	50	40	EDGB	
CC(=O)N/N=C1/C(=O)N([C@H]2OC(=O)c3ccccc32)c2ccccc21	5817071	BORMHZADHPAAOQ-AWZALFRUSA-N	335.319	1.743	50	40	EDGB	
COC(=O)c1cc(/C=C/C(=O)NNC(=O)c2ccccn2)oc1C	9336033	IMEAJNCSELECJW-VOTSOKGWSA-N	329.312	1.244	50	40	EDGB	
O=C(CCC(=O)N/N=C1\C[C@H]2CC=C[C@H]12)N/N=C1\C[C@@H]2CC=C[C@@H]12	36162801	FPNBGHWYIAPUGB-YVJHITRFSA-N	326.400	1.903	50	40	EDGB	
CC(C)(C)NC(=O)NN(c1ccccc1)[C@@H]1CCS(=O)(=O)C1	5329580	UAPQSMYHFVFKLL-CYBMUJFWSA-N	325.434	1.693	50	40	EDGB	
C/C(CC(=O)Nc1ccccc1C(N)=O)=N\NC(=O)c1cccs1	101159611	CKWLQGMMJRIXOU-VXLYETTFSA-N	344.396	1.982	50	40	EDGB	
CS(=O)(=O)[C@H](I)[C@H](O)c1cccc(F)c1	96519196	OOISSMBOKJECPP-BDAKNGLRSA-N	344.145	1.665	50	40	EDGB	
CCc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccco3)CC2=O)cc1	8354508	QGMFKFZSICUQJV-ZDUSSCGKSA-N	341.367	1.656	50	40	EDGB	
O=C(NN[C@@H]1CC(=O)N(CCc2ccccc2)C1=O)c1ccccc1	101206823	CCRLITLTEFNCIU-MRXNPFEDSA-N	337.379	1.291	50	40	EDGB	
O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)c1cccs1	10646962	RAMHSKVPFZXRBR-UHFFFAOYSA-N	349.324	1.274	50	40	EDGB	
COc1cc(/C=N\NC(=O)[C@@H]2COc3ccccc3O2)ccc1O	31875832	PDARJWADCUZXJW-RSFAQHHSSA-N	328.324	1.691	50	40	EDGB	
COc1cccc(/C=N/NC(=O)[C@H](C)NC(=O)c2ccccc2)c1	5353921	XLKQYLHTXZQAAG-HCZVKUGISA-N	325.368	1.964	50	40	EDGB	
O=C(N/N=C1\C(=O)Nc2ccccc21)C(=O)Nc1ccc(Cl)cc1	3669084	KOSMJBWGPBGXPB-UHFFFAOYSA-N	342.742	1.751	50	40	EDGB	
CC1(C)[C@]2(C#N)C(=O)N[C@]1(C)NC(I)=C2C#N	100240640	CVZCGHPLDNFUIJ-QWRGUYRKSA-N	342.140	1.142	50	40	EDGB	
Cc1nc2ccccn2c1C(=O)NNS(=O)(=O)c1ccccc1F	8746371	PBRJNFIENZBDAA-UHFFFAOYSA-N	348.359	1.405	50	40	EDGB	
O=C(C[C@H]1OC(=O)c2ccccc21)NNC(=O)c1ccc(F)cc1	32975865	CVKPOBJZPFTOPZ-CQSZACIVSA-N	328.299	1.889	50	40	EDGB	
COc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1OC	354519	DTXXARIJCWPNGA-AEUYPJEVSA-N	342.351	1.994	50	40	EDGB	
CS(=O)(=O)[C@H](I)[C@@H](O)c1cccc(N)c1	96519182	NEFGSXVCXLLXRT-IUCAKERBSA-N	341.170	1.108	50	40	EDGB	
O=S(=O)(CCl)N=C1C=CC(=NS(=O)(=O)CCl)C=C1	255188269	JFHKYBHOEXGQOB-UHFFFAOYSA-N	331.202	1.047	50	40	EDGB	
Cc1cc(C)nc(NNC(=O)C2CCN(C(=O)C(C)(C)C)CC2)n1	29066392	XEUMRNWJDBMYHN-UHFFFAOYSA-N	333.436	1.821	50	40	EDGB	
CCS(=O)(=O)[C@@H](Br)[C@H](O)c1ccc([N+](=O)[O-])cc1	96519085	MRLHWFYXCMIWQR-NXEZZACHSA-N	338.179	1.784	50	40	EDGB	
CS(=O)(=O)[C@H](I)C(=O)c1cccc(F)c1	96517925	OJPQBWXLGPDEFS-VIFPVBQESA-N	342.129	1.814	50	40	EDGB	
C[C@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)c1cccc(Cl)n1	585114255	VGEKCIXJVKQRSN-UWVGGRQHSA-N	327.768	1.080	50	40	EDGB	
Cc1cc(C(=O)N/N=C/c2c(C)nn(C)c2F)c2c(C)nn(C)c2n1	252507488	WMZFJJCYINOGFV-CNHKJKLMSA-N	343.366	1.530	50	40	EDGB	
O=C(COc1ccccc1F)NNC(=O)[C@H]1COc2ccccc2O1	2662495	CLNIYJPXGXHUEO-OAHLLOKOSA-N	346.314	1.192	50	40	EDGB	
COc1cccc(OC)c1OCC(=O)N/N=C/c1ccc(O)cc1	508181	KNDPKXYARGZKGG-VCHYOVAHSA-N	330.340	1.939	50	40	EDGB	
Cc1ccc(C(=O)NNC(=S)NC(=O)COc2ccccc2)cc1	2135532	LVYDELZFKNPPPV-UHFFFAOYSA-N	343.408	1.710	50	40	EDGB	
Cc1cc2c(c(=O)n1C)[C@@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2	2228347	IZBVWEGCFUVKKM-HNNXBMFYSA-N	337.335	1.641	50	40	EDGB	
Cc1nonc1C1=C[C@](C)(c2nonc2C)C(C#N)(C#N)C(N)=C1C#N	4171182	NJLPAWYTLSLJDM-OAHLLOKOSA-N	348.326	1.194	50	40	EDGB	
COC(=O)[C@@H]1/C(=N/NC(=O)CC#N)C[C@](C)(O)C[C@H]1c1ccccc1	100248873	KJYWBBYLFGJCMQ-IICZSGDRSA-N	343.383	1.490	50	40	EDGB	
CC[C@]1(C)Cc2c(sc3nc(NNC(C)=O)n(C)c(=O)c23)CO1	495598	LEOGEMPAEDZHQA-OAHLLOKOSA-N	336.417	1.699	50	40	EDGB	
C/C(CC(=O)Nc1ccc(Cl)cn1)=N\NC(=O)c1cnccn1	101526486	PYWDPXLXNXENAK-AWQFTUOYSA-N	332.751	1.660	50	40	EDGB	
CCOc1cccc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c1	102201916	PELCXBGISVDAOO-AZHAFVHUSA-N	344.367	1.369	50	40	EDGB	
O=C(O)COc1ccccc1/C=N/NC(=O)[C@H](O)c1ccccc1	4694147	ZLMRKXMIYHLIES-VHWUNXFSSA-N	328.324	1.334	50	40	EDGB	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])C(=O)NC1CCCCCC1	409005444	IRQJIZSAFLOJDP-GZTJUZNOSA-N	332.360	1.884	50	40	EDGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cc(O)ccc1O	345227	FZPDSGMNMLHNIB-LZYBPNLTSA-N	331.284	1.535	50	40	EDGB	
COc1ccc(/C=N/NC(=O)C(=O)N2CCC(C)CC2)cc1OC	6646032	WATOVPHEGGDEPB-WOJGMQOQSA-N	333.388	1.412	50	40	EDGB	
C#CCN1C(=O)[C@]2(C(C#N)=C(N)OC3=C2C(=O)CCC3)c2ccccc21	89430	OXRNHPCAYKVYNC-FQEVSTJZSA-N	345.358	1.635	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1	4599885	CYCAMMDGCCZIBU-UHFFFAOYSA-N	339.304	1.357	50	40	EDGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC)cc(OC)c1OCC(=O)O	408844707	IKPNMWGTELEUPW-QPEQYQDCSA-N	330.340	1.540	50	40	EDGB	
O=C(N/N=C\c1ccc2c(c1)OCO2)[C@@H]1COc2ccccc2O1	30721866	VISGKRUDNQXYME-PKXKBNNOSA-N	326.308	1.705	50	40	EDGB	
COc1ccc([C@@H]2C(C#N)=C(N)O[C@H]3NN=C(C(F)(F)F)[C@@H]32)cc1	227225530	WYEWJZSHVXDDKU-UHIISALHSA-N	338.289	1.967	50	40	EDGB	
COc1ccc(/C=N\NC(=O)Cn2cnc3ccccc3c2=O)cc1	31854497	XXWLQBZMFDRSEW-JMIUGGIZSA-N	336.351	1.555	50	40	EDGB	
C[C@H]1Cc2cc(C(=O)NN)ccc2N1S(=O)(=O)c1ccccc1	10324757	NQLFZGBNOWTNDG-NSHDSACASA-N	331.397	1.430	50	40	EDGB	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2ccc[nH]c2=O)c1C	12984753	JJYAKUZCEFGAMJ-GFCCVEGCSA-N	329.356	1.220	50	40	EDGB	
Cn1c(CCNC(=N)CSS(=O)(=O)O)nc2ccccc21	31723275	MGUQNYYDLSTABI-UHFFFAOYSA-N	328.419	1.219	50	40	EDGB	
O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1ccc2c(c1)OCO2	1958512	BNZARZHEVPIQMH-DNTJNYDQSA-N	343.314	1.435	50	40	EDGB	
O=C(COC(=O)c1ccccc1Cl)NNC(=O)c1ccccc1	3507111	FGYWCZLHBBHXGK-UHFFFAOYSA-N	332.743	1.958	50	40	EDGB	
C=CCNC(=S)NNC(=O)CCSCc1ccc(OC)cc1	27579273	BCKFDFHJIHXGTA-UHFFFAOYSA-N	339.486	2.000	50	40	EDGB	
CC[C@H]1CCc2sc(C(=O)NNC(=O)[C@@H](C)NC(N)=O)cc2C1	27327167	HMNBTMLQMFWPNF-BDAKNGLRSA-N	338.433	1.081	50	40	EDGB	
CCOC(=O)[C@]1(C#N)[C@H](c2ccccc2)[C@@]1(C#N)C(N)=C(C#N)C#N	66088251	VNPUEYKXIVLMAX-JLSDUUJJSA-N	331.335	1.627	50	40	EDGB	
CC1=C(C#N)C(=O)NC(=O)/C1=C\NNc1ccc(Br)cc1	16694065	VEQMDMLHNHIWKR-GHXNOFRVSA-N	347.172	1.746	50	40	EDGB	
Cc1ccccc1C(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1	52411061	RVGABMWAJGKOCM-CQSZACIVSA-N	337.379	1.809	50	40	EDGB	
C[C@H]1CN(CC(=O)NNC(=O)c2ccccc2Cl)C[C@H](C)O1	15375627	UWGYZWGNQSXBTQ-QWRGUYRKSA-N	325.796	1.210	50	40	EDGB	
COc1ccccc1C(=O)N/N=C/c1ccc(OCC(=O)O)cc1	409256740	PLBBRHUIMNZXDU-VCHYOVAHSA-N	328.324	1.923	50	40	EDGB	
Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccncc2)c(Cl)c1	32118775	RKEBKCYHEFQYOZ-UHFFFAOYSA-N	348.815	1.993	50	40	EDGB	
O=C(Nc1ccc(F)cc1)c1cc(Br)cc(B(O)O)c1	642815019	SKAGFNBENCSPHU-UHFFFAOYSA-N	337.941	1.520	50	40	EDGB	
COc1cc(/C(N)=N/NC(=O)c2cccc(N)c2)cc(OC)c1OC	32502326	UKCORNIMKKCEMD-UHFFFAOYSA-N	344.371	1.345	50	40	EDGB	
Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)NN)C2)c(C)c1	6201366	LTIPOMYYFQTBPT-ZDUSSCGKSA-N	325.434	1.002	50	40	EDGB	
COc1ccccc1N1CCN(C(=O)C(=O)NN=C2CCCC2)CC1	58885704	OIMWAOBYDMZGDM-UHFFFAOYSA-N	344.415	1.390	50	40	EDGB	
COC(=O)COc1ccc(/C=N\NC(=O)Cc2ccccc2)cc1	58882714	YPINBMQMYRHFDX-UNOMPAQXSA-N	326.352	1.931	50	40	EDGB	
COc1cccc(NC(=O)NNC(=O)Cc2ccccc2[N+](=O)[O-])c1	17071803	YICMTYNRRYAXEH-UHFFFAOYSA-N	344.327	1.999	50	40	EDGB	
COc1ccc(C(=O)N/N=c2\oc3ccccc3cc2C(N)=O)cc1	194675	SUYZCPJCIOTLHK-UZYVYHOESA-N	337.335	1.786	50	40	EDGB	
COc1ccc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)cc1	43386	FUJPBLCWDPNMQG-WOJGMQOQSA-N	336.355	1.499	50	40	EDGB	
Cc1ccc(OCC(=O)NC(=S)NNC(=O)c2cccs2)cc1	6845547	BDXZLHLYRLFBSY-UHFFFAOYSA-N	349.437	1.771	50	40	EDGB	
COC(=O)CC1=C(C(=O)OC)[C@@H](c2ccccc2)C(C#N)=C(N)O1	1384621	QBESRQPHTPYYST-AWEZNQCLSA-N	328.324	1.484	50	40	EDGB	
C=CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3[nH]nc(C)c32)c2ccccc21	5687151	KOMGBGNJDMEIJB-GOSISDBHSA-N	333.351	1.623	50	40	EDGB	
O=C(COc1cccc(Br)c1)NNC(=O)c1ccoc1	16202329	QNGBOALIULCCHZ-UHFFFAOYSA-N	339.145	1.882	50	40	EDGB	
CS(=O)(=O)[C@H](I)[C@@H](O)c1cccc(F)c1	96519198	OOISSMBOKJECPP-IUCAKERBSA-N	344.145	1.665	50	40	EDGB	
Cn1c([S@@](C)=O)cnc1COC(=O)N(CCCl)CCCl	1640626	XFVHQUWGEYDWPZ-FQEVSTJZSA-N	342.248	1.574	50	40	EDGB	
CC(C)C(=O)NNC(=O)Cn1c2ccccc2c(=O)c2ccccc21	22475899	LTXAQDGEEDLEPQ-UHFFFAOYSA-N	337.379	1.958	50	40	EDGB	
Cn1/c(=N\NC(=O)C(=O)Nc2ccccc2)sc2ccccc21	56422856	ADGWDRPQEOXJRB-KNTRCKAVSA-N	326.381	1.810	50	40	EDGB	
CCOc1ccccc1C(=O)NCC(=O)NNC(=O)c1cccs1	6790285	USHNKLADWNCBGE-UHFFFAOYSA-N	347.396	1.338	50	40	EDGB	
COc1cc(/C=N/NC(=O)CC(=O)NC2CCCCC2)ccc1O	335760	RZHWYGFDZUESMY-WOJGMQOQSA-N	333.388	1.690	50	40	EDGB	
O=C(NNC(=S)NC1CCCCC1)c1n[nH]c(=O)c2ccccc12	6210590	BBECCBOVRXLXEZ-UHFFFAOYSA-N	345.428	1.365	50	40	EDGB	
CC1(C)NC(=O)N(C[C@@H](Br)CBr)C1=O	345985	GKASZJKBGUWQEX-YFKPBYRVSA-N	328.004	1.475	50	40	EDGB	
C[C@@]12O[C@H]([C@H]3C(=O)OC(=O)[C@@H]31)[C@H](Br)[C@@H]2Br	100442676	LIWROZKJGNEHRM-FRSBRDKYSA-N	339.967	1.000	50	40	EDGB	
C/C(=N\NC(=O)Cc1cccs1)c1ccc(OCC(N)=O)cc1	5620926	LSTZXOSMYRYWRQ-WOJGMQOQSA-N	331.397	1.695	50	40	EDGB	
O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)c1cnccn1	8327540	HDPGUOVXQRGIHX-UHFFFAOYSA-N	348.362	1.984	50	40	EDGB	
C[C@@H](C(=O)N/N=C/c1ccccc1)N(c1ccccc1)S(C)(=O)=O	408906402	BHJZARSALPZZFW-RAOBZKRQSA-N	345.424	1.991	50	40	EDGB	
O=C(NNC(=S)NC(=O)c1cc2ccccc2o1)c1ccncc1	5948965	NJGNFUWUPOYTGN-UHFFFAOYSA-N	340.364	1.777	50	40	EDGB	
O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl	11027300	ZCTYWJMBMSNIBA-VHSXEESVSA-N	333.753	1.121	50	40	EDGB	
O=C(Cc1ccccc1)NNS(=O)(=O)c1ccccc1[N+](=O)[O-]	318702	HWBRRRNANVWIFB-UHFFFAOYSA-N	335.341	1.147	50	40	EDGB	
Cc1ccc(O)c(/C=N/NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)c1	1005042	USAUYBQMCJBALV-FUYSCZTQSA-N	337.379	1.681	50	40	EDGB	
COc1cccc(/C=N/NC(=O)CC(=O)NCCc2ccccc2)c1	5514608	ABOSHOSPPRXXHM-KGENOOAVSA-N	339.395	1.894	50	40	EDGB	
COc1ccc2c(c1OC)C(=O)O[C@@H]2NNC(=O)c1cccnc1	485461	ITIXHUBBGAAYKD-HNNXBMFYSA-N	329.312	1.202	50	40	EDGB	biogenic
CC[C@@H](C)C(=O)NNS(=O)(=O)c1ccc2c(c1)OCCCO2	55617639	STXLDPFECBKPHR-SNVBAGLBSA-N	328.390	1.204	50	40	EDGB	
O=Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccs2)cc1	7778475	JERJYOWESFSIAP-UHFFFAOYSA-N	332.337	1.179	50	40	EDGB	
O=S(=O)(O)CCCCSSCCCCS(=O)(=O)O	34339553	YYILFFUYOXLCTG-UHFFFAOYSA-N	338.494	1.704	50	40	EDGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2cccnc2)c1C#N	195436	UYCWUIBIKKGAAB-AWQFTUOYSA-N	339.355	1.332	50	40	EDGB	
CC1(C)[C@]2(C(=O)NNC(=O)c3ccc(F)cc3)CC[C@@]1(C)C(=O)O2	2877773	HGYOKGPICDBSDO-DLBZAZTESA-N	334.347	1.709	50	40	EDGB	
CON/C=N/C(=O)NN(C)c1ncc(C(F)(F)F)cc1Cl	4073750	SBDZMVFRZYDHMV-UHFFFAOYSA-N	325.678	1.994	50	40	EDGB	
Cc1ccc(S(=O)(=O)/C(=N/Nc2cccc(C)c2)C(=O)NN)cc1	7191723	WANJHNBKLXWACS-CAPFRKAQSA-N	346.412	1.493	50	40	EDGB	
Cc1ccc(NCC(=O)NNC(=O)[C@H](C)NC(=O)C(C)(C)C)c(C)c1	89614160	PSAKAVUYVDKXIS-ZDUSSCGKSA-N	348.447	1.414	50	40	EDGB	
OCC[N@+]12CO[C@@H]3CCC[C@H](C[C@H]1CI)[C@H]32	254311229	OMTYTCOKKOZNSI-OJROKELRSA-N	338.209	1.528	50	40	EDGB	
N#CC1=C(SCC(N)=O)NC2=C(C(=O)CCC2)[C@H]1c1ccco1	20029473	VRXQWWWCUOIKIH-CQSZACIVSA-N	329.381	1.927	50	40	EDGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCCC)c(OCC)c1	3083852	AJKAUUYVFLZRCW-XDHOZWIPSA-N	333.388	1.626	50	40	EDGB	
CCOc1cc(/C=N/NC(=O)CNC(=O)c2ccco2)ccc1O	3081769	IIJGPTRLLRGDAZ-GIJQJNRQSA-N	331.328	1.264	50	40	EDGB	
O=C(CCN1CCOCC1)N/N=C/c1ccc(Br)o1	19890419	TWTTWGUGIJJCFT-NTEUORMPSA-N	330.182	1.215	50	40	EDGB	
CCc1ccc(OCC(=O)NNC(=O)COc2ccccc2F)cc1	12942022	ZOFLWICIHHOBOH-UHFFFAOYSA-N	346.358	1.993	50	40	EDGB	
O=C1[C@H]2[C@@H]3C[C@H]4[C@@H]([C@H]3[C@H]1Br)[C@@H](Br)C(=O)[C@@H]24	4529807	ASRUXQHQIUKJHH-UWTWNTNCSA-N	334.007	1.793	50	40	EDGB	
O=C(CSc1nc2ccccc2[nH]1)NNC(=O)c1cccnc1	26507656	GFZQPNBMVJDWJV-UHFFFAOYSA-N	327.369	1.511	50	40	EDGB	
O=C(Cc1cn2ccsc2n1)N/N=C/c1ccc(C(=O)O)cc1	3289081	HSOJUIJQZSFTAN-LZYBPNLTSA-N	328.353	1.787	50	40	EDGB	
O=C1[C@@H](Br)[C@@H]2[C@H]3[C@H](Br)C(=O)[C@H]4[C@@H]1[C@H]2C[C@@H]34	195528821	ASRUXQHQIUKJHH-NHWMNWLNSA-N	334.007	1.793	50	40	EDGB	
Cc1ccc(/C=N/NC(=O)CNC(=O)c2ccc3c(c2)OCO3)o1	3136697	UTCWHQQUINQCFK-CNHKJKLMSA-N	329.312	1.197	50	40	EDGB	
CC(=O)N(/N=c1\oc(=O)[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1	19707495	ZWFULRAOWOROEI-SDXDJHTJSA-N	340.295	1.898	50	40	EDGB	
CC1=C(C(=O)OC(C)C)[C@]2(C(=O)N1)C(C#N)=C(N)Oc1ccccc12	4517240	MDPBGQWOTKJCQJ-GOSISDBHSA-N	339.351	1.366	50	40	EDGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1O	7812952	LMLROVIONFLLHN-WOJGMQOQSA-N	327.340	1.880	50	40	EDGB	
COc1ccccc1OCC(=O)N/N=C/c1cccc2c1OCCO2	54868275	SGJAJVAUBDLHIC-YBFXNURJSA-N	342.351	1.996	50	40	EDGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(O)c(O)c1	6257404	JMRWPFMDTGEYMT-CNHKJKLMSA-N	329.312	1.389	50	40	EDGB	
C[C@@H]1Sc2ccc(C(=O)NNC(=O)c3ccco3)cc2NC1=O	6647633	JMZORZHDDOLWHL-QMMMGPOBSA-N	331.353	1.787	50	40	EDGB	
CCOc1ccccc1C(=O)NNC(=O)Cn1cnc2ccccc21	7181640	DSCLIUJJYGFNBX-UHFFFAOYSA-N	338.367	1.896	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccccc1O	7416044	RBENIAWCKZGUQD-UHFFFAOYSA-N	346.408	1.894	50	40	EDGB	
O=C(N/N=C/c1ccccc1O)c1ccc(CN2CCOCC2)cc1	27528001	OQZGZDBGHOMTPY-DEDYPNTBSA-N	339.395	1.988	50	40	EDGB	
COc1ccccc1NC(=O)N/N=C\c1ccc(OCC(N)=O)cc1	408904774	OKIDCJHUIAVUHC-GRSHGNNSSA-N	342.355	1.715	50	40	EDGB	
Cc1c(C(=O)NNC(=O)c2ccccc2O)[nH]c2c1C(=O)CCC2	22258944	SFUSHEMZHDUGDJ-UHFFFAOYSA-N	327.340	1.623	50	40	EDGB	
CCCc1cc(C(=O)NNC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cs1	6757558	UORYALHLDZCESL-QOBDMFJFSA-N	348.424	1.985	50	40	EDGB	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1cccc([N+](=O)[O-])c1	972471	OUQQTWMZHPEXIL-CQSZACIVSA-N	343.295	1.196	50	40	EDGB	
NNC(=O)c1nnc2sc(-c3ccccc3Br)nn12	57332591	ZYRXVDYJFZTKMY-UHFFFAOYSA-N	339.178	1.219	50	40	EDGB	
COc1cc(/C=N/NC(=O)CNc2ccccc2)cc([N+](=O)[O-])c1O	59419179	HGSKCMGDKCSLDP-GIJQJNRQSA-N	344.327	1.871	50	40	EDGB	
COc1cccc(/C=N/NC(=O)Cc2nc3ccccc3n2C)c1O	48236043	ZRQICTCMDAFUPM-YBFXNURJSA-N	338.367	1.980	50	40	EDGB	
C[C@]1(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1Br	2300693	HUEJJPPJVOBPHU-SKDRFNHKSA-N	342.149	1.529	50	40	EDGB	
C/C(Cc1ccccc1)=N\NC(=O)CNC(=O)c1ccccc1O	4807989	SJJCMGFIZVZQGM-DEDYPNTBSA-N	325.368	1.857	50	40	EDGB	
CC(C)CC(=O)NNC(=O)[C@H](C)Sc1nnc(NC2CC2)s1	69651989	MEJSSKTUGJGWHE-QMMMGPOBSA-N	343.478	1.787	50	40	EDGB	
Cc1cc([N+](=O)[O-])c(S(=O)(=O)NNC(=O)CC(C)(C)C)cc1F	585140697	JDSASEUPOXTYIT-UHFFFAOYSA-N	347.368	1.788	50	40	EDGB	
NNC(=O)c1cc2c3c(c(N4CCOCC4)nc2s1)CCCC3	19144478	MCRZQGCDYCGKEU-UHFFFAOYSA-N	332.429	1.615	50	40	EDGB	
O=C(N/N=C1/C(=O)Nc2ccc(-c3ccccc3)cc21)C(=O)NC1CC1	43949436	UMKYCIHHTNFGSY-UHFFFAOYSA-N	348.362	1.405	50	40	EDGB	
Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)c(O)c1	5225453	ZGMLYYRVIKNLQL-UHFFFAOYSA-N	328.324	1.319	50	40	EDGB	
Cn1cccc1CC(=O)N/N=C\c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	71335822	DYDVVZLHPBAYPG-NVNXTCNLSA-N	347.287	1.240	50	40	EDGB	
NNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1	9514130	OZHFGSOSMLUEKC-UHFFFAOYSA-N	329.397	1.139	50	40	EDGB	
CC(C)(C)c1noc(CCC(=O)NNC(=O)c2ccc(F)cc2)n1	122782860	IKKAEILKAWRRKJ-UHFFFAOYSA-N	334.351	1.900	50	40	EDGB	
O=[N+]([O-])c1ccc(NC(=S)N[C@H]2CS(=O)(=O)C[C@H]2Cl)cc1	12421693	ONRDULAKFFGHST-ZJUUUORDSA-N	349.821	1.286	50	40	EDGB	
COC(=O)N/N=C(\C)c1ccc(S(=O)(=O)N2CCCC2)cc1	24035818	PTAADQSJAOAIDQ-RVDMUPIBSA-N	325.390	1.551	50	40	EDGB	
COc1cc(SC#N)ccc1NC=C1C(=O)NC(=S)NC1=O	6239302	KKYXWMACVQPOIB-UHFFFAOYSA-N	334.382	1.095	50	40	EDGB	
O=C(COC(=O)c1ccccc1[N+](=O)[O-])NNC(=O)c1cccs1	15934619	ZICAZIYYOWDXQF-UHFFFAOYSA-N	349.324	1.274	50	40	EDGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc(Cl)c1O	409258718	ZMRNCOMRCHQZDY-YFEDRJBBSA-N	341.795	1.809	50	40	EDGB	
C/C(CC(=O)Nc1c(C)cccc1C)=N\NC(=O)C(=O)N1CCCC1	5796379	XKBMPXQCRMWNGJ-XSFVSMFZSA-N	344.415	1.747	50	40	EDGB	
C/C(Cn1nnc2ccccc21)=N\NC(=O)[C@@](C)(O)c1ccccc1	12362261	KNXIYALIIJZWMB-DYGKOUCMSA-N	337.383	1.831	50	40	EDGB	
C=CCNC(=O)CC(=O)N/N=C/c1ccc(OCC=C)c(OC)c1	5512836	FZUXAVDGLXZOKA-XDHOZWIPSA-N	331.372	1.402	50	40	EDGB	
Cc1scc(C(=O)NNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)c1C	102197918	XAQVXSCIVYABAS-DJIHRAIXSA-N	336.413	1.873	50	40	EDGB	
COC(=O)CC1=C(C(=O)OC)[C@H](c2cccc(F)c2)C(C#N)=C(N)O1	499851	YIXXFRXEKOUUHS-CQSZACIVSA-N	346.314	1.624	50	40	EDGB	
CCn1c(O)c(C(=O)N/N=C/c2ccncc2)c(=O)c2ccccc21	1247564	XEXQUKSGCCMBIQ-RGVLZGJSSA-N	336.351	1.886	50	40	EDGB	
O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccco1	52411114	BHHBJZOBSHCIDK-JTQLQIEISA-N	347.758	1.747	50	40	EDGB	
Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1ccc[nH]c1=O	12947769	YWTAKBIZBIWIDT-UHFFFAOYSA-N	335.747	1.177	50	40	EDGB	
Cc1cc(C(=O)NNC(=O)CCNC(=O)OC(C)(C)C)c(C)o1	8144045	AUNBMQVYRRMQHE-UHFFFAOYSA-N	325.365	1.572	50	40	EDGB	
O=C(CCC(=O)NNC(=O)C1CCCCC1)NCc1ccccc1	1794770	WKZXZAFCSQHJHY-UHFFFAOYSA-N	331.416	1.811	50	40	EDGB	
CNC(=O)C1=C2SC[C@](C)(O)N2C(N)=C(C#N)[C@H]1c1ccccc1	481764	MXIXVEUSTRZUIE-PXAZEXFGSA-N	342.424	1.193	50	40	EDGB	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc(Cl)cc1	972494	WZVAMYCCBUPIPM-AWEZNQCLSA-N	332.743	1.941	50	40	EDGB	
NNC(=O)c1ccccc1SSc1ccccc1C(=O)NN	1673413	SCUUNMURVDKGPP-UHFFFAOYSA-N	334.426	1.693	50	40	EDGB	
Cc1c(/C=N/NC(=O)c2ccccc2)c(Cl)n(C)c(=O)c1C#N	7781973	OAOJXRYERGDWRP-DJKKODMXSA-N	328.759	1.983	50	40	EDGB	
Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NN)c(C)c2)cc1	409388745	WPMNRFQPLFJKOR-UHFFFAOYSA-N	349.412	1.473	50	40	EDGB	
CCOC(=O)N1CCC(=NNC(=O)CNc2ccc(F)cc2)CC1	5602733	WKLZVKCAPMSMCE-UHFFFAOYSA-N	336.367	1.962	50	40	EDGB	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)O)c(C)c1	498535	DTEBGNMWVPOVNY-UONOGXRCSA-N	348.399	1.721	50	40	EDGB	
O=C(N[C@H]1CCN2C(=O)N(CCCl)C(=O)[C@@H]2C1)c1cccs1	3840287	MKLVMGNRKJTLCQ-UWVGGRQHSA-N	341.820	1.512	50	40	EDGB	biogenic,in-vitro
CCN(CC)c1ccc(C(=O)NN[C@H](C(N)=O)c2ccccc2)cc1	26223697	ASSWRFOPAKZVFL-KRWDZBQOSA-N	340.427	1.994	50	40	EDGB	
O=C(NNC(=O)c1ccccc1O)c1cc(Cl)c2c(c1)OCO2	12974275	XUCCMNCWGHBYLW-UHFFFAOYSA-N	334.715	1.849	50	40	EDGB	
Cc1ccc(OCC(=O)N/N=C/c2c(C)nn(C)c2F)c([N+](=O)[O-])c1	252495031	OLGOPBCSKQQDGP-REZTVBANSA-N	349.322	1.613	50	40	EDGB	
CCOc1ccc(C(=O)NC(=S)NNC(=O)c2ccncc2)cc1	6595685	QAHNWWDGLGQWNM-UHFFFAOYSA-N	344.396	1.430	50	40	EDGB	
CCCCC(=O)NNC(=O)c1sc(N2CCOCC2)nc1C	12699820	PZUPJQCMKPLGNM-UHFFFAOYSA-N	326.422	1.239	50	40	EDGB	
CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccco2)cc1	59434186	RSONOISYQRQSPY-LICLKQGHSA-N	329.312	1.545	50	40	EDGB	
CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)Nc2ccccc2)cc1	5378507	WKLQVXKGPVFELV-UHFFFAOYSA-N	348.384	1.660	50	40	EDGB	
CC(C)(Br)C(=O)NNC(=O)[C@]1(C)CC1(Cl)Cl	5529841	OMKVLMOPIXTDLB-QMMMGPOBSA-N	332.025	1.891	50	40	EDGB	
C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@@H](C)S(C)(=O)=O)cc2C1	44950266	FKFMKTXPEDEWOO-RKDXNWHRSA-N	344.458	1.067	50	40	EDGB	
CCOCCCNC(=O)/C(C#N)=C/c1cccc2[nH]nc(C(=O)O)c12	585138710	LKOFUWFBQBKKCO-FMIVXFBMSA-N	342.355	1.711	50	40	EDGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc1OC	7869808	UFTYEQZSUVLOQN-HWQJWEFDSA-N	333.388	1.625	50	40	EDGB	
O=C1OC(=O)[C@H]2[C@H]1[C@@]13CCCC1=C1CC[C@]34C(=O)OC(=O)[C@@]43C[C@]123	103836200	SCXMMDDLZBZWFH-AKTGOXQDSA-N	326.304	1.036	50	40	EDGB	
COc1ccc(/C=N/NC(=O)C(=O)N2CCCCCC2)cc1[N+](=O)[O-]	1815812	CYFACVQBWAPVHZ-GZTJUZNOSA-N	348.359	1.456	50	40	EDGB	
C[C@H]1CCc2sc(C(=O)NNC(=O)c3ccc[nH]c3=O)cc2C1	12863086	FVLNFDUMQWJVMG-VIFPVBQESA-N	331.397	1.636	50	40	EDGB	
O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc2ccccc2c1	15639366	VRKPKVUCLYQKRV-CQSZACIVSA-N	332.381	1.036	50	40	EDGB	
NNC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	33856862	XNEUMXBSGZGYBL-UHFFFAOYSA-N	333.413	1.230	50	40	EDGB	
COc1cc(/C=C\C(=O)NCC(=O)NN=C(C)C)cc(OC)c1OC	17300846	IPKHMNBYZZFUDW-SREVYHEPSA-N	349.387	1.354	50	40	EDGB	
Nc1nnn(CC(=O)N/N=C\c2cccc(Oc3ccccc3)c2)n1	31867307	BAKYDRNJVNTSKH-ZDLGFXPLSA-N	337.343	1.198	50	40	EDGB	
Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(C(=O)NC(C)(C)C)cc1	69705367	DMKYFSBVBUZHIZ-UHFFFAOYSA-N	343.387	1.321	50	40	EDGB	
O=C(S[C@H]1CS(=O)(=O)C[C@H]1Cl)c1ccccc1[N+](=O)[O-]	16789884	VMALSXBURDSOGJ-SCZZXKLOSA-N	335.790	1.873	50	40	EDGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(F)cc2F)[C@@H]2CNCC=C12	20792577	WDHKJXIIWZJSEN-ZBFHGGJFSA-N	337.333	1.978	50	40	EDGB	
O=C(NN1C(=O)[C@H](Cl)[C@H]1c1ccc(O)cc1)c1ccccc1O	1633521	UOGKILIVBHEGSL-ZIAGYGMSSA-N	332.743	1.934	50	40	EDGB	
Cc1cc(C(=O)NNC(=O)[C@@H](C)NC(=O)c2ccccc2)c(C)o1	3550547	WIMHDOABROHPEK-LLVKDONJSA-N	329.356	1.476	50	40	EDGB	
C[C@@H]1Cc2cc(C(=O)NN)ccc2N1S(=O)(=O)c1ccccc1	10324752	NQLFZGBNOWTNDG-LLVKDONJSA-N	331.397	1.430	50	40	EDGB	
CCOc1ccccc1C(=O)NNC(=O)CNc1ccc(OC)cc1	12534562	HGRIJEYSRDXNSN-UHFFFAOYSA-N	343.383	1.967	50	40	EDGB	
O=C(Cn1ccc(C(F)(F)F)n1)N/N=C/c1ccc(C(=O)O)cc1	3342002	WGXBHWDAAGZRSB-CNHKJKLMSA-N	340.261	1.750	50	40	EDGB	
CCCCN1C(=O)/C(=C/NNC(=O)c2ccccc2)C(O)=NC1=S	6783071	KSHVXBNUUBLVFM-ZRDIBKRKSA-N	346.412	1.689	50	40	EDGB	
O=c1nc2n(c3[nH]ncc13)[C@@H](CI)CS2	32594528	CWBQQQJZMIXOLI-BYPYZUCNSA-N	334.142	1.201	50	40	EDGB	
COCCNC(=O)C/C(C)=N/NC(=O)c1cc(Cl)ccc1O	101158176	IFIYFZZMDWGLNO-RQZCQDPDSA-N	327.768	1.304	50	40	EDGB	
COc1cc2c(cc1[C@H]1C(C#N)=C(N)Oc3[nH]nc(C)c31)OCO2	581384	SEIIMOYURNZQIR-AWEZNQCLSA-N	326.312	1.674	50	40	EDGB	
CC(C)CC(=O)NNC(=O)[C@H](NC(=O)C1CCCCC1)C(C)C	22279335	OPFCQUSRHTUYJS-OAHLLOKOSA-N	325.453	1.901	50	40	EDGB	
O=C(NNC(=O)c1cccs1)c1ccc(N2CCOC2=O)cc1	42819260	FJILGXZUQTVBKN-UHFFFAOYSA-N	331.353	1.780	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccc2ncccc2c1)c1ccccc1F	71916532	IYGJWIDGOORUCG-UHFFFAOYSA-N	345.355	1.997	50	40	EDGB	
C/C=N/O[C@]1(c2ccc(OC)cc2)OC(N)=C(C#N)C1=C(C#N)C#N	100234279	KDDCQOPQGVERPB-LDTPBTNWSA-N	335.323	1.938	50	40	EDGB	
CCOC(=O)NNC(=O)[C@H]1CS[C@H](c2ccccc2)N1C(C)=O	1643136	PVAXZHBYAYNHQC-TZMCWYRMSA-N	337.401	1.426	50	40	EDGB	
O=C(NNC(=S)NC(=O)c1cccnc1)c1ccc(Cl)cc1	2364825	VKCYHZZQFSQDRY-UHFFFAOYSA-N	334.788	1.684	50	40	EDGB	
COc1ccc(C(=O)NNC(=O)c2ccncc2)c(OC)c1OC	13021796	WVKSATKCFCGXRF-UHFFFAOYSA-N	331.328	1.182	50	40	EDGB	
Cc1cccc(OCCC(=O)NNC(=O)Cn2nc(C)cc2C)c1	6510433	FFQSGMOICGDHGK-UHFFFAOYSA-N	330.388	1.425	50	40	EDGB	
CCOc1cc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)ccc1O	408721741	XZEWVVRFJQHYQD-KPKJPENVSA-N	339.355	1.498	50	40	EDGB	
COc1ccc(N(CC(=O)NN=C2CCCC2)S(C)(=O)=O)cc1	20060393	NNEHNFZCJVLPDB-UHFFFAOYSA-N	339.417	1.507	50	40	EDGB	
COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)I	75629715	DJTBBPUINKPGDR-BQBZGAKWSA-N	343.161	1.876	50	40	EDGB	
COc1cccc(-c2nc(C)cc(N3CCC[C@H](C(=O)NN)C3)n2)c1	260567516	LRFJPIZSAJNGOI-AWEZNQCLSA-N	341.415	1.667	50	40	EDGB	
Cc1cc([N+](=O)[O-])c(S(=O)(=O)NNC(=O)C2CCCC2)cc1F	585140445	DZAQAAYNMREQEW-UHFFFAOYSA-N	345.352	1.542	50	40	EDGB	
CC(=O)N/N=C(\C=N\NC(C)=O)c1ccc(Br)cc1	16139017	OZQMZJKJACGKQN-OTDOLHNPSA-N	325.166	1.411	50	40	EDGB	
O=C(/C=C/c1ccccc1)NC(=S)NNC(=O)c1ccncc1	5680510	XQMZZHWUIQUHJE-VOTSOKGWSA-N	326.381	1.431	50	40	EDGB	
O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CS(=O)(=O)C[C@H]1Cl	11027303	ZCTYWJMBMSNIBA-ZJUUUORDSA-N	333.753	1.121	50	40	EDGB	
O=[N+]([O-])c1ccc(NC(=S)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)cc1	12421694	ONRDULAKFFGHST-UWVGGRQHSA-N	349.821	1.286	50	40	EDGB	
Cn1/c(=N\NC(=O)CN2CCCCCC2=O)sc2ccccc21	102650275	LWNQWZDKDYPGLW-FBMGVBCBSA-N	332.429	1.574	50	40	EDGB	
C/C(=N\NC(=O)c1ccc(=O)[nH]n1)c1cccc(Br)c1	12362465	HFSWTGZQCBFLMF-OVCLIPMQSA-N	335.161	1.686	50	40	EDGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(N)=O)c2C)cc1Cl	408935450	FMUVWAKWJNRDSQ-UFWORHAWSA-N	332.791	1.991	50	40	EDGB	
CC[C@@H](C(=O)N/N=C/c1c(C)nn(C)c1F)n1cc([N+](=O)[O-])cn1	252481478	CMVXONBOQXAWAH-DMSFABOWSA-N	337.315	1.074	50	40	EDGB	
COc1cc(/C=N\NC(=O)[C@H]2COc3ccccc3O2)ccc1O	31875834	PDARJWADCUZXJW-BZMUBCNJSA-N	328.324	1.691	50	40	EDGB	
COc1ccccc1C(=O)NN(C)C1=NS(=O)(=O)c2ccccc21	76704	YKFDBRVYHYSETF-UHFFFAOYSA-N	345.380	1.421	50	40	EDGB	
CCc1n[nH]c(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n1	7604833	ADAYGRUFHAOVII-UHFFFAOYSA-N	339.808	1.574	50	40	EDGB	
CC1(C)[C@@]2(C)CC[C@@]1(C(=O)N/N=C/c1ccc(O)cc1O)OC2=O	100260183	LTLOMSSHDSIDNZ-NBXORQDBSA-N	332.356	1.670	50	40	EDGB	
CO[C@@H](C(=O)N/N=C/c1ccc(OCC(N)=O)cc1)c1ccccc1	28214368	GGAOUURHIVIPNL-MLHZQLSASA-N	341.367	1.389	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1)c1ccco1	12792978	PAHJIJCRIKQLEX-UHFFFAOYSA-N	344.732	1.255	50	40	EDGB	
Cc1n[nH]c2c1[C@H](c1cc3c(cc1[N+](=O)[O-])OCO3)C(C#N)=C(N)O2	5687148	FDIBZOBQVDHSNV-CYBMUJFWSA-N	341.283	1.573	50	40	EDGB	
N#C/C(=C/c1ccc(I)cc1)C(=O)NC(N)=O	409240518	UHEQIHVRZAVAEG-YVMONPNESA-N	341.108	1.393	50	40	EDGB	
CCN(CC)C(=S)SC[Si]12OCCN(CCO1)CCO2	195777772	HRZRKLASUKZXRO-UHFFFAOYSA-N	336.555	1.203	50	40	EDGB	
O=C(CCC(=O)N/N=C1\C[C@H]2CC=C[C@@H]12)N/N=C1\C[C@@H]2CC=C[C@@H]12	225697011	FPNBGHWYIAPUGB-ASVQACJCSA-N	326.400	1.903	50	40	EDGB	
N#CC1=C(N2CCOCC2)S[C@@H](c2cccc([N+](=O)[O-])c2)NC1=O	9644514	CKZCPLHHAUVVNU-AWEZNQCLSA-N	346.368	1.524	50	40	EDGB	
O=C(N/N=C/c1cccc(F)c1)c1c(O)c2c([nH]c1=O)CCCC2	8830213	CMACRXRVWPNGQA-DJKKODMXSA-N	329.331	1.862	50	40	EDGB	
COCCNC(=S)NNC(=O)COc1cccc2ccccc12	7062279	QCNMBSCVLKRJRN-UHFFFAOYSA-N	333.413	1.360	50	40	EDGB	
Cc1ccc(C(=O)N/N=C2\CS(=O)(=O)N(C)c3ccsc32)cc1	1392657	UDGKEFCCOHWYAU-FOWTUZBSSA-N	349.437	1.970	50	40	EDGB	
O=C(COc1ccccc1)NN[C@H]1CC(=O)N(c2ccccc2)C1=O	100572089	ZVTXNWUNMDICFV-HNNXBMFYSA-N	339.351	1.018	50	40	EDGB	
CN(C)c1ncccc1C(=O)N/N=c1/sc2ccccc2n1C	102796100	UZEDDWLRJBPMSP-KNTRCKAVSA-N	327.413	1.947	50	40	EDGB	
Cc1cc(C)nc(NNC(=O)COc2ccc3c(c2)CCC(=O)N3)n1	69349761	ICRPFKSDISECRW-UHFFFAOYSA-N	341.371	1.500	50	40	EDGB	
CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)NC(C)=C2C#N)cc1	14165577	ZPWOTQVRILWZLN-ZDUSSCGKSA-N	327.340	1.735	50	40	EDGB	
O=C(S[C@@H]1CS(=O)(=O)C[C@H]1Cl)c1ccccc1[N+](=O)[O-]	16789887	VMALSXBURDSOGJ-PSASIEDQSA-N	335.790	1.873	50	40	EDGB	
COc1ccc(/C=C(\C#N)C(=O)NCCN2CCOCC2)cc1OC	19898817	POGFTRAJTRDMSK-RVDMUPIBSA-N	345.399	1.059	50	40	EDGB	
Nc1nnnn1CC(=O)N/N=C/c1cccc(Oc2ccccc2)c1	547439	AVYLZCWBVRZPII-VCHYOVAHSA-N	337.343	1.198	50	40	EDGB	
C=CCc1cc(/C=N/NC(=O)CC#N)cc(OC)c1OCC(=O)O	59678696	PYODHPBEXRCHQK-GIJQJNRQSA-N	331.328	1.251	50	40	EDGB	
CC(C)[C@H]1N(C(=O)CCl)CCN1S(=O)(=O)c1ccccc1	4778623	RGIQEBKDFDKYGT-AWEZNQCLSA-N	330.837	1.740	50	40	EDGB	
C/C(=N\NC(=O)C(N)=O)c1cccc(NC(=O)c2cccs2)c1	15938742	LPZBUIZMANDLQD-GIJQJNRQSA-N	330.369	1.326	50	40	EDGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=N\NC(=O)c1ccccc1N	32116975	MCTFNTWSQUZJQA-NVMNQCDNSA-N	344.327	1.958	50	40	EDGB	
COc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])c(O)cc2O)cc1	408725170	FQTUCBYIIVZGIH-LZYBPNLTSA-N	331.284	1.779	50	40	EDGB	
COc1ccccc1NCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O	36014994	JABUAJSRNRLSMU-GIJQJNRQSA-N	344.327	1.871	50	40	EDGB	
CN(C)c1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1	5586310	CKIQNHIBSQSKKO-YBFXNURJSA-N	328.347	1.981	50	40	EDGB	
CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)C2CCCCC2)cc1	142355	LYRMWXOOICGUAW-UHFFFAOYSA-N	339.417	1.535	50	40	EDGB	
CCOC(=O)[C@H](CSC(=O)CCBr)NC(C)=O	68605791	JIKYGVOSRHXGEV-QMMMGPOBSA-N	326.212	1.099	50	40	EDGB	
O=C1Nc2cccc(Br)c2/C1=N/NC(=O)[C@H]1CCCO1	43973872	QLEUYGFLGXMHCX-SECBINFHSA-N	338.161	1.401	50	40	EDGB	
NC(=O)c1cc2ccccc2o/c1=N\NC(=O)c1cccc(F)c1	187616	CEIAIQYJNYXIDN-FXBPSFAMSA-N	325.299	1.917	50	40	EDGB	
Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3cccs3)CC2=O)cc1	8357376	RGCDQHASCKVZGK-LBPRGKRZSA-N	343.408	1.871	50	40	EDGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)NCCN2CCOCC2)cc1	24303119	WXYMFRNVTDXFNM-SAPNQHFASA-N	341.411	1.607	50	40	EDGB	
COc1cccc(C(=O)N/N=C(\C)c2ccc(-n3cnnn3)cc2)c1	25761092	GTYZKEIMCTUELY-XDHOZWIPSA-N	336.355	1.825	50	40	EDGB	
Cc1cc(C)n(CC(=O)NNC(=O)c2cccc(NC(C)C)c2)n1	69971075	KZEHVCMQGRCUKS-UHFFFAOYSA-N	329.404	1.781	50	40	EDGB	
COc1cccc(C(=O)NN)c1OS(=O)(=O)c1ccc(C)cc1	226307427	NUWYAAWSIDORMB-UHFFFAOYSA-N	336.369	1.375	50	40	EDGB	
Cc1[nH]nc(O)c1CC(=O)N/N=C\c1ccc(Br)s1	5634663	STADILKAXBCBAJ-ACAGNQJTSA-N	343.206	1.941	50	40	EDGB	
CN(NC(=O)[C@H]1C[C@H]1C(=O)O)c1ncc(C(F)(F)F)cc1Cl	106350394	AWBNHLBKJRZDCU-NKWVEPMBSA-N	337.685	1.942	50	40	EDGB	
Cc1ccccc1C(=O)NNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12	57677052	AFKKMFXTCSRNKO-BLLLJJGKSA-N	333.413	1.210	50	40	EDGB	
O=C(Cc1ccc(Cl)cc1)NNC(=O)C(=O)NCc1ccccc1	4547331	HGYFIVVTFJFYRO-UHFFFAOYSA-N	345.786	1.346	50	40	EDGB	
COc1cc(C(=O)NNC(=O)c2cc(C)on2)ccc1OC(C)C	6549238	ZVZFQFVCNIUGDP-UHFFFAOYSA-N	333.344	1.854	50	40	EDGB	
C/C(=N\NC(=O)CNC(=O)[C@H]1COc2ccccc2O1)c1ccco1	4833630	XBGOHECTZPXMRK-SKCQWOFPSA-N	343.339	1.076	50	40	EDGB	
C[C@@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc2nccnc2c1	15975038	AOIBETNLCKOXAN-JZOCJUILSA-N	343.387	1.993	50	40	EDGB	
O=C(NC(=S)NNC(=O)[C@H]1C[C@H]1c1ccccc1)c1cccnc1	16039439	HLPISEZOPXIFAY-KBPBESRZSA-N	340.408	1.521	50	40	EDGB	
Cc1ccc(S(=O)(=O)NC(=O)NNC(=O)OC(C)(C)C)cc1	5929578	NRMIVNQQLNQISI-UHFFFAOYSA-N	329.378	1.423	50	40	EDGB	
COC(=O)c1ccc(/C=N/NC(=O)COc2ccccc2C#N)cc1	220081	LYRNQAOGJIJWOH-RGVLZGJSSA-N	337.335	1.874	50	40	EDGB	
C[C@@]12CCC(=O)N1[C@H](C(=O)NNC(=O)c1ccccc1F)CS2	32967465	RBEHDHPYHVQZQA-XHDPSFHLSA-N	337.376	1.041	50	40	EDGB	
COc1ccc(CCNC(=S)NNC(=O)C=C(C)C)cc1OC	24749096	APFWNXCGGSPQPX-UHFFFAOYSA-N	337.445	1.708	50	40	EDGB	
C/C(=N\NC(=O)c1c(C)nnn1-c1nonc1N)c1ccc(C)cc1	25761957	GKNKLXDXAJRPPF-RQZCQDPDSA-N	340.347	1.003	50	40	EDGB	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccc[nH]c2=O)c1C	12984755	JJYAKUZCEFGAMJ-LBPRGKRZSA-N	329.356	1.220	50	40	EDGB	
COc1cccc(/C=N\NC(=O)c2ccco2)c1O[C@H](C)C(=O)O	409234047	YEAXVEFQVOXIRM-LGQZLYSRSA-N	332.312	1.904	50	40	EDGB	
COC(=O)COc1cccc(/C=N/NC(=O)c2ccccc2O)c1	408862045	HUDOKCCBVOSNMG-VCHYOVAHSA-N	328.324	1.708	50	40	EDGB	
COc1ccc(CC(=O)N/N=C/c2cc([N+](=O)[O-])c(O)cc2O)cc1	408718734	CPIOIUQWXGGVML-RQZCQDPDSA-N	345.311	1.707	50	40	EDGB	
Cc1cc(Br)cc(Br)c1OCC(=O)NN	4526086	BMRRSUNHIWYXNV-UHFFFAOYSA-N	337.999	1.889	50	40	EDGB	
CCOC(=O)Cc1[nH]nc2c1[C@@H](Cc1ccccc1)C(C#N)=C(N)O2	13635937	FENTUVDIQGWLKL-LBPRGKRZSA-N	338.367	1.928	50	40	EDGB	
CC(C)N1C(=O)/C(=N/NC(=O)[C@H](O)c2ccccc2)c2ccccc21	85637421	NYNVVOSDJFBFCU-PBEQFFAXSA-N	337.379	1.996	50	40	EDGB	
COc1ccc(OC)c(N(C(=O)CCl)[C@H]2CCS(=O)(=O)C2)c1	40177631	IOLZWVHILUYEJF-JTQLQIEISA-N	347.820	1.463	50	40	EDGB	
CC1(C)C(c2ccccc2)=[N+]([O-])[C@]2(CCCC/C2=N\NC(N)=O)N1O	13098287	TUYGEOOIWJBQMS-HNMKQIAWSA-N	345.403	1.764	50	40	EDGB	
COc1ncccc1C(=O)NNC(=O)CN1CCCc2ccccc21	46543778	LPFHGHFVNZEMLK-UHFFFAOYSA-N	340.383	1.304	50	40	EDGB	
COc1ccccc1C(=O)NNC(=O)C(=O)Nc1cccc(C)c1	4838858	WSASAKXEZADMBI-UHFFFAOYSA-N	327.340	1.403	50	40	EDGB	
COc1ccc(N2N=C(C)/C(=C(\C)NNC(=O)C3CC3)C2=O)cc1	103916753	ZFBUFDRORRZIGA-GDNBJRDFSA-N	328.372	1.723	50	40	EDGB	
CC1(C)CC(=O)C2=C(C1)NC(N)=C(C#N)[C@@]21C(=O)Nc2ccccc21	6419640	JFGCKUQKWRZXBT-LJQANCHMSA-N	334.379	1.817	50	40	EDGB	
CS(=O)(=O)[C@H](I)C(=O)c1cccc(N)c1	96517917	ONQGCNLOSJFCBB-VIFPVBQESA-N	339.154	1.257	50	40	EDGB	
Cc1ccc(S(=O)(=O)NCCC(=O)N/N=C/c2ccco2)cc1	8844675	SOXBYYBKOWYNDY-LFIBNONCSA-N	335.385	1.407	50	40	EDGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/c1ccco1	100959005	RLIKEYUWGBTXJO-ZTFCMROMSA-N	346.364	1.059	50	40	EDGB	
Cc1cc2ncn(CCC(=O)NNC(=O)c3ccccn3)c2cc1C	414068	POCHKSYDWBZQSB-UHFFFAOYSA-N	337.383	1.899	50	40	EDGB	
O=C(NN[C@@H]1CC(=O)N(c2ccccc2)C1=O)c1cccc(F)c1	554578	FSTRCMPOSXTSLW-CQSZACIVSA-N	327.315	1.392	50	40	EDGB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1C	9646721	AFANJHNEBFVQDC-UHFFFAOYSA-N	330.837	1.375	50	40	EDGB	
N#CC1=C(SCC(=O)N2CCCC2)NC(=O)C[C@H]1c1ccco1	409123240	AYRWSFCHDAJUQB-LLVKDONJSA-N	331.397	1.974	50	40	EDGB	
CCn1c(O)c(C(=O)N/N=C/c2cccnc2)c(=O)c2ccccc21	1282635	WMWXAEIQDXMEJF-RGVLZGJSSA-N	336.351	1.886	50	40	EDGB	
O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1ccc(Cl)cc1Cl	7782286	RTXAPNXWBBHNDO-MBCCIFHSSA-N	344.198	1.739	50	40	EDGB	
NNC(=O)c1nnc2sc(-c3ccc(Br)cc3)nn12	57339031	TWJGEJLEMPXEQR-UHFFFAOYSA-N	339.178	1.219	50	40	EDGB	
COc1ccnc(NNC(=O)C2(c3ccccc3)CCOCC2)n1	25124221	BGNUFRJTXFBFIA-UHFFFAOYSA-N	328.372	1.677	50	40	EDGB	
C[C@H]1CN(c2nc3ccccn3c(=O)c2C=C(C#N)C#N)C[C@@H](C)O1	13648144	PNIVUSLVCOKLPP-BETUJISGSA-N	335.367	1.739	50	40	EDGB	
CNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1	408611953	SSUSKVGMFGIQHA-KEBDBYFISA-N	329.331	1.601	50	40	EDGB	
O=C(NNC(=O)[C@]1(Cl)C[C@H]2CC[C@H]1O2)c1cccc([N+](=O)[O-])c1	585138663	ATEDIMXUCQPWGE-GYSYKLTISA-N	339.735	1.285	50	40	EDGB	
N#CC(C#N)=C(N)[C@@]1(C#N)[C@@H](c2ccccc2Cl)[C@]1(C#N)C(N)=O	85409148	HDZWJHMOVMGVLJ-DAXOMENPSA-N	336.742	1.202	50	40	EDGB	
Cc1cc(C)n2nc(SCC(=O)N/N=C/c3cccnc3)nc2n1	360865	FCIZKXKJRMZGCI-CAOOACKPSA-N	341.400	1.379	50	40	EDGB	
O=C(CCN1CCN(c2ccccc2)CC1)N/N=C1/CCSC1	23219778	LVYGYHSNGZYIQS-SDXDJHTJSA-N	332.473	1.808	50	40	EDGB	
CCC1=C(C(=O)OC)[C@]2(C(=O)Nc3c(C)cccc32)C(C#N)=C(N)O1	4655625	DTNIMBONCNDJCA-GOSISDBHSA-N	339.351	1.746	50	40	EDGB	
CNC(=O)/C(C#N)=C\c1ccc(O)c(I)c1	408965941	XUKYZDQFUHNVRP-YWEYNIOJSA-N	328.109	1.650	50	40	EDGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN)Cc2cccc(C)c2)cc1	409062819	BHTNMBTWXRSXMD-UHFFFAOYSA-N	347.440	1.484	50	40	EDGB	
CS(=O)(=O)[C@H](I)[C@@H](O)c1ccccc1	96519150	ITZYFQVWMVYZAF-IUCAKERBSA-N	326.155	1.526	50	40	EDGB	
CC(C)(C)NC(=S)NNC(=O)COc1ccccc1[N+](=O)[O-]	14894659	IPPJGYCMAJDWKN-UHFFFAOYSA-N	326.378	1.267	50	40	EDGB	
COc1ccc(N([C@@H](C)C(=O)NN=C(C)C)S(C)(=O)=O)cc1	19953794	VXRUHBPYNXRHMN-NSHDSACASA-N	327.406	1.362	50	40	EDGB	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)Nc1ccc(C)cc12	51725	LYZJAQSJINKGEC-QGZVFWFLSA-N	325.324	1.356	50	40	EDGB	
Cc1cc(C)n2nc(C(=O)NNC(=O)c3cc(C)oc3C)nc2n1	26991730	OPLDVTOJEYQVMZ-UHFFFAOYSA-N	328.332	1.026	50	40	EDGB	
N#C/C(=C\c1c[nH]c2ccccc12)C(=O)N[C@@H]1CCS(=O)(=O)C1	4318552	OADZEGODWPLJRE-SVTZGKHISA-N	329.381	1.378	50	40	EDGB	
COc1ccc(NC(=O)N/N=C\c2ccc(OCC(N)=O)cc2)cc1	408964775	SAPVBOMMXHZAEH-GRSHGNNSSA-N	342.355	1.715	50	40	EDGB	
COc1ccc(C(=O)NCC(=O)N/N=C(\C)c2ccco2)cc1OC	4833637	QLBFNNGHLNLTJU-YBFXNURJSA-N	345.355	1.567	50	40	EDGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccco2)S(C)(=O)=O)c1	408779293	ULQKOBGUGCVFEA-LICLKQGHSA-N	349.412	1.813	50	40	EDGB	
N#CC(C#N)=C(N)[C@]1(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)C1(C#N)C#N	6668818	NCZQCUSCNABXGS-BBRMVZONSA-N	329.279	1.496	50	40	EDGB	
O=C(NN[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O)c1ccccc1	2656250	WNEQGHSMPHRFFR-CQSZACIVSA-N	343.770	1.907	50	40	EDGB	
N#Cc1ccccc1OCC(=O)NNC(=O)Cc1ccccc1F	6981899	DNEKGQPRHSIIBQ-UHFFFAOYSA-N	327.315	1.466	50	40	EDGB	
Cn1cc([C@@H]2C[C@H]2C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cn1	64384233	FKNCYDOLDVXLHT-ADIBBKGHSA-N	342.443	1.887	50	40	EDGB	
CCOC(=O)NNS(=O)(=O)c1ccc(OC(F)(F)F)cc1	7813864	PHTXXZUCSPKTKE-UHFFFAOYSA-N	328.268	1.525	50	40	EDGB	
O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1cccc(F)c1	408614576	DWDPBEDSMCVVBI-CYBMUJFWSA-N	341.342	1.640	50	40	EDGB	
COc1cc(/C=N/NC(=O)COc2ccccc2)cc([N+](=O)[O-])c1O	40844813	IIHNWMORKSZMQI-RQZCQDPDSA-N	345.311	1.838	50	40	EDGB	
O=C(N/N=C\c1cc(Br)ccc1O)c1ccc(O)nn1	83329261	GNCWWPJNYSIOLA-NSIKDUERSA-N	337.133	1.414	50	40	EDGB	
COc1ccccc1C(=O)NNC(=O)[C@@H]1CN(C)C[C@H]1C(F)(F)F	1616037502	MHCHDLNQERDEBN-GHMZBOCLSA-N	345.321	1.196	50	40	EDGB	
COC(=O)/C(CC(=O)C(C)(C)C)=N\NC(=O)c1cccc([N+](=O)[O-])c1	5292593	YOJKQQRIJICXNE-ATVHPVEESA-N	349.343	1.859	50	40	EDGB	
Cc1c(C(=O)NNC(=O)c2cccs2)[n+](=O)c2ccccc2n1O	575628198	XIKJZVXQAMLQCK-UHFFFAOYSA-O	345.360	1.238	50	40	EDGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OC(C)=O	38893	HEOJFRLBIHWAIQ-OAHLLOKOSA-N	340.339	1.870	50	40	EDGB	
CCOC(=O)C1=C(C)O[C@]23OC(N)=C(C#N)[C@]12C(=O)c1ccccc13	84831	QKCOPNGSFCHVRX-QZTJIDSGSA-N	338.319	1.613	50	40	EDGB	
CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccoc3)[C@@H]2C1	808891	ANSQRQZSXFLMMD-CVEARBPZSA-N	333.351	1.551	50	40	EDGB	
Cc1nc2ccccc2c(=O)n1OCC(=O)N/N=C/c1ccccc1	531961	VLDXZIABYUUDKZ-YBFXNURJSA-N	336.351	1.284	50	40	EDGB	
CN(N=O)C1=N[C@@](C)(CCl)[P@@](=O)(NNc2ncccn2)O1	104264628	VSWXYLOYWRETPR-BTKVJGODSA-N	333.676	1.541	50	40	EDGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(O)cc2)c(OC)c1	58884829	PCFDKTPWQOPVML-VCHYOVAHSA-N	343.339	1.498	50	40	EDGB	
C=CCOc1cccc(/C=N/NC(=O)CC(=O)NCCCOC)c1	59459642	QPYDGVSHXXKQLQ-CPNJWEJPSA-N	333.388	1.244	50	40	EDGB	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccc2ccccc2n1	3376813	BCDGDEPNMNCKLT-QGZVFWFLSA-N	349.346	1.836	50	40	EDGB	
O=C(CBr)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1	35605294	MMPJSBOSYFVYNS-LBPRGKRZSA-N	341.205	1.929	50	40	EDGB	
O=C(N/N=C\c1ccc(SCCO)c([N+](=O)[O-])c1)c1cccnc1	30966613	WREQLPMLYQWRMN-MFOYZWKCSA-N	346.368	1.838	50	40	EDGB	
COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(F)cc2)cc1	223157335	FNDWOGKRCNXWTK-GRSHGNNSSA-N	343.314	1.701	50	40	EDGB	
COc1c(/C=N/NC(N)=O)c(C[C@@H](C)Cl)c(OC)c2c1OCO2	15085454	HVHSZKIKMGUEQY-AEBIVVHDSA-N	343.767	1.605	50	40	EDGB	
CCOC(=O)N1CCN(/C=C(/C#N)C(=O)Nc2ccccc2)CC1	58161116	FKGNSVLWPMVBAI-YPKPFQOOSA-N	328.372	1.807	50	40	EDGB	
COc1ccc(/C=C(/NC(=O)c2cccs2)C(=O)NN)cc1OC	34705662	NASQCRQPULOMCM-DHZHZOJOSA-N	347.396	1.526	50	40	EDGB	
Cc1cc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)sc1C	12989906	ICTVTWXYORKAHQ-CYBMUJFWSA-N	332.381	1.966	50	40	EDGB	
COc1ccc(O[C@@H](C)C(=O)N/N=C2\N=C(N)c3ccccc32)cc1	16322206	XEXSPQSJMATFOO-NSHDSACASA-N	338.367	1.659	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)CCNC(=O)c2ccc(F)cc2)cc1	35681731	LJILGFYPEIDUNO-UHFFFAOYSA-N	343.358	1.715	50	40	EDGB	
COc1ccc(CC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1OC	5745566	QNXOJLNIPFASRL-CXUHLZMHSA-N	333.300	1.898	50	40	EDGB	
CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2	78847	DZNVTPIBHGVHHB-CYBMUJFWSA-N	338.747	1.825	50	40	EDGB	
CC1=NNC(=O)[C@H]1CC(=O)N/N=C/c1ccccc1C(F)(F)F	100151410	UNEAMWINSJTHNZ-DSSNYXJPSA-N	326.278	1.668	50	40	EDGB	
C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1c(O)cc(C)oc1=O	101158257	OQOFGARLFRWZQY-RQZCQDPDSA-N	330.296	1.537	50	40	EDGB	
COCCOc1ccc(S(=O)(=O)NNC(=O)CC(C)C)cc1	26533153	ATWJKQJGSQFZKE-UHFFFAOYSA-N	330.406	1.067	50	40	EDGB	
Cn1cc(/C=C/C(=O)NNC(=O)c2cc(-c3ccccc3)on2)cn1	27263158	UTSXZMCWWQUFQA-BQYQJAHWSA-N	337.339	1.550	50	40	EDGB	
O=C(N/N=C/c1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	58884975	FFFCEPVATPKKTO-RQZCQDPDSA-N	330.275	1.823	50	40	EDGB	
O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccco1	408615859	TXENZRPNBAWEJN-JTQLQIEISA-N	331.303	1.233	50	40	EDGB	
N#Cc1ccccc1OCC(=O)NNC(=O)c1cc(F)ccc1F	22636940	CFGIBEBKRREUJQ-UHFFFAOYSA-N	331.278	1.676	50	40	EDGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2nccs2)cc1)C(N)=O	13945073	DRPWZFCSXQJRAL-YRNVUSSQSA-N	328.353	1.553	50	40	EDGB	
Cc1cc(C)nc(NNC(=O)CCn2cnc3sccc3c2=O)n1	14514800	QIPPZWNASMWAPD-UHFFFAOYSA-N	344.400	1.398	50	40	EDGB	
CCOC(=O)NNC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1	16839372	DJZJSZOZBMQZDM-UHFFFAOYSA-N	349.774	1.941	50	40	EDGB	
CCc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(OC)cc2)cc1	4838868	HILDOQFYSOYZIK-UHFFFAOYSA-N	341.367	1.657	50	40	EDGB	
CCOC(=O)Cc1csc(SCC(=O)/C(C#N)=C(/C)N)n1	104844222	XLSHDOOLEWSFPJ-NTMALXAHSA-N	325.415	1.666	50	40	EDGB	
CCNS(=O)(=O)C[C@@]1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2Br	103178809	CHHKYNYNFQLRRG-QCMRWSPLSA-N	338.267	1.695	50	40	EDGB	
CC(C)(C)OC(=O)NCCC(=O)N/N=C/c1ccc2nccnc2c1	2397383	FWKKEUUZMZHINJ-SRZZPIQSSA-N	343.387	1.995	50	40	EDGB	
O=C1N=C([n+]2ccccc2)/C(=C/NNC(=O)c2ccccc2O)S1	15952917	XLLNWISSODUDFO-UHFFFAOYSA-O	341.372	1.569	50	40	EDGB	
N[C@@H](Cc1ccc(O)cc1)C(=O)N/N=C\c1ccc2c(c1)OCO2	31769494	WNDAKFHGMUZQCA-GPMKDSKKSA-N	327.340	1.141	50	40	EDGB	
COc1ccc(C(=O)N/N=C(\C)CC(=O)NC[C@H]2CCCO2)cc1	5289168	WPFCSVZHEJMYFQ-IYSPOMMRSA-N	333.388	1.486	50	40	EDGB	
COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCC(=O)O	5512805	KQPQWISYXPUGEN-VCHYOVAHSA-N	328.324	1.923	50	40	EDGB	
CCCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(O)c(OCC)c1	6647807	ULJBOJNALLSDTG-GIJQJNRQSA-N	341.795	1.811	50	40	EDGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)NC(C)C)cc1OCC	3089962	XGLWKDDGDSMDRS-WOJGMQOQSA-N	333.388	1.625	50	40	EDGB	
CCN(CC)CCN/C(N)=C(C#N)/C=C1\Nc2ccccc2C1=O	57049737	BVSUNBCSXBCORK-VUPGSKBTSA-N	325.416	1.804	50	40	EDGB	
CCS(=O)(=O)N(CC(=O)NN=C(C)C)c1ccc(OC)cc1	59490219	AVHCTXCVXOOCQW-UHFFFAOYSA-N	327.406	1.363	50	40	EDGB	
O=C(N/N=C/c1ccncc1)C(=O)Nc1cccc(Br)c1	59459614	LBLUTSJYIJQGRG-RQZCQDPDSA-N	347.172	1.933	50	40	EDGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccco2)S(C)(=O)=O)cc1	409026718	WAEUCFQQONLDOE-GZTJUZNOSA-N	349.412	1.758	50	40	EDGB	
Cc1c(C(=O)NNC(=O)[C@@H](C)N2CCOCC2)oc2ccccc12	84068139	ZSDPHNZEEGWRIU-GFCCVEGCSA-N	331.372	1.223	50	40	EDGB	
COc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccco3)CC2=O)cc1	409170240	UHJFVNDNNZIBDP-XACIZNRCSA-N	327.340	1.791	50	40	EDGB	
O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1cccc(O)c1	408972817	FXQYJIPQECOCJE-MBTVCVBTSA-N	337.379	1.858	50	40	EDGB	
CC(C)NC(=O)C(=O)N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1	38615079	QRRYRLCJCMUXSC-MFOYZWKCSA-N	344.327	1.830	50	40	EDGB	
CCOC(=O)c1ccc(C[C@H]2S/C(=C(/C#N)C(C)=O)NC2=O)cc1	16683660	BVUZYCCNQGLQCW-UMWKZLPKSA-N	344.392	1.962	50	40	EDGB	
NC(=O)N/N=C(/C[C@@H]1C(=O)Oc2ccccc21)c1ccccc1O	102941463	LPFOIVNYAIWPNX-XLCLWTIASA-N	325.324	1.858	50	40	EDGB	
O=C(NNS(=O)(=O)c1cccc(F)c1)c1ccc2c(c1)OCO2	7428704	DBFZFUCQZGLQBW-UHFFFAOYSA-N	338.316	1.178	50	40	EDGB	
Cn1cccc1/C=N\NC(=O)CN1CCN(Cc2ccccc2)CC1	19849361	DSBNIFRPIHGSRD-ZHZULCJRSA-N	339.443	1.293	50	40	EDGB	
NNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1	113891875	QUXKLVZQABWIRR-UHFFFAOYSA-N	337.376	1.007	50	40	EDGB	
CCOc1cc(/C=N\NC(=O)c2cccnc2)cc([N+](=O)[O-])c1O	35406221	AYVOLUSBXPVHIT-IUXPMGMMSA-N	330.300	1.858	50	40	EDGB	
Cc1nnc(SCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)s1	2303748	JNSQMTRNYWONJC-AWNIVKPZSA-N	337.386	1.997	50	40	EDGB	
CCOC(=O)Cc1[nH]nc2c1[C@@H](c1cccs1)C(C#N)=C(N)O2	499640	DNJPBMJAYYTJTK-GFCCVEGCSA-N	330.369	1.795	50	40	EDGB	
COC(=O)[C@H]1[C@@H]2C[C@@H]3[C@@H](OC(=O)[C@@]13C)[C@H]2I	103859475	BYKYYSISVSYONV-VDPZXOLLSA-N	336.125	1.161	50	40	EDGB	
COc1ccc(CNC(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1	12734447	RAISKNGJPFWCBM-UHFFFAOYSA-N	343.339	1.568	50	40	EDGB	
O=Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)cc1	3385991	YFRQFTFRBBOQNQ-UHFFFAOYSA-N	326.308	1.117	50	40	EDGB	
C[C@](CC(=O)NNC(=O)c1cccs1)(C(=O)O)c1ccccc1	13252996	CORZLAPMBHAJLT-MRXNPFEDSA-N	332.381	1.942	50	40	EDGB	
O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N\NC(=O)c1ccccc1O	5678881	APHAFNNKYPXOOT-UHFFFAOYSA-N	326.268	1.387	50	40	EDGB	
C=C(C)Cn1c(SCC(=O)NN)nnc1-c1ccc([N+](=O)[O-])cc1	36724680	CJLOCFBUKXSEPW-UHFFFAOYSA-N	348.388	1.511	50	40	EDGB	
C/C(=N\NC(=O)CNc1ccc2c(c1)OCO2)c1ccc(O)cc1O	409176686	UYXGYMLGQWGYRB-VXLYETTFSA-N	343.339	1.779	50	40	EDGB	
CN(C)N(C(=O)c1cn(C)c2ccccc12)[C@@H]1CCS(=O)(=O)C1	49580881	ZRGLADRUIJFFHB-GFCCVEGCSA-N	335.429	1.284	50	40	EDGB	
O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CS(=O)(=O)C[C@H]1Cl	11027302	ZCTYWJMBMSNIBA-NXEZZACHSA-N	333.753	1.121	50	40	EDGB	
CC(C)CC(=O)NNC(=O)[C@@H](NC(=O)C1CCCCC1)C(C)C	22279333	OPFCQUSRHTUYJS-HNNXBMFYSA-N	325.453	1.901	50	40	EDGB	
Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)NNC(=O)C1CC1	53999406	FFTOYPONZRJINO-UHFFFAOYSA-N	334.326	1.938	50	40	EDGB	
Cc1ccc(OCC(=O)N/N=C\c2ccccc2OCC(=O)O)cc1	4714505	JGZSDUZYNGCRJK-GRSHGNNSSA-N	342.351	1.988	50	40	EDGB	
O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc([N+](=O)[O-])o1	2102885	ADHZPGWBZFTTNT-VGOFMYFVSA-N	334.244	1.625	50	40	EDGB	
O=C(COC(=O)c1cccc(Cl)c1)NNC(=O)c1ccccc1	3385504	UOAJKIYGWCJERT-UHFFFAOYSA-N	332.743	1.958	50	40	EDGB	
C=CCN(CC=C)C(=O)CSC1=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N1	6654283	JOYYPKUAEMUPSR-LBPRGKRZSA-N	344.440	1.951	50	40	EDGB	
O=C(NNC(=O)[C@H]1CSCN1C(=O)C1CCCC1)c1ccccc1	69350885	ASYWHHOBXXTLSC-CQSZACIVSA-N	347.440	1.539	50	40	EDGB	
Cc1ccc2nc([C@H]3CCCN3C(=O)c3cccc(B(O)O)c3)[nH]c2c1	584945439	QLVOGNQLJHTSMR-QGZVFWFLSA-N	349.199	1.528	50	40	EDGB	
O=C(NN[C@H]1CC(=O)N(c2ccccc2F)C1=O)c1ccccc1	56308	FMLFISVZBLUAIG-ZDUSSCGKSA-N	327.315	1.392	50	40	EDGB	
Cc1nccn1CC(=O)N/N=C/c1cc(Br)ccc1O	554735	GDEDIMGGNJHWNS-FRKPEAEDSA-N	337.177	1.810	50	40	EDGB	
COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccncc2)c1	59459618	GZOYTHNZKPCUMU-VCHYOVAHSA-N	328.328	1.188	50	40	EDGB	
O=C(O)[C@@H]1[C@H]2C[C@H]([C@@H](Br)[C@H]2Br)[C@@H]1C(=O)O	4769237	HECPLCNVJSYLGU-ZJWGJRCSSA-N	341.983	1.565	50	40	EDGB	
Cn1nc(C(=O)NNC(=O)CCC2CCCC2)c2ccccc2c1=O	15940141	VZPSRJFPJJGQMG-UHFFFAOYSA-N	342.399	1.665	50	40	EDGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)N2CCCC2)cc1OC	3043710	SEOOFLZKNZIKCB-LDADJPATSA-N	331.372	1.333	50	40	EDGB	
O=C(/C=C/c1cccs1)NC(=S)NNC(=O)c1ccccc1O	4950591	WLPUJWSXECGHJW-BQYQJAHWSA-N	347.421	1.803	50	40	EDGB	
O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1cccc2ccccc12	7783505	PHIKCDMPCFYEIV-BBJIBYMTSA-N	325.368	1.585	50	40	EDGB	
Cc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(N)=O)cc1	59445083	SMLKGOAKTPZUDF-KEBDBYFISA-N	341.367	1.388	50	40	EDGB	
CCOc1cc(/C=N/NC(N)=O)cc(Br)c1OCC#N	2102272	QXITTWLKGZPEQK-FRKPEAEDSA-N	341.165	1.752	50	40	EDGB	
Cc1cccc(C(=O)NC(=S)NNC(=O)c2ccccc2O)c1	2551579	JDJKGWVDQNXXQZ-UHFFFAOYSA-N	329.381	1.650	50	40	EDGB	
CN(C)[C@H](Cc1ccccc1)C(=O)NNC(=O)c1ccccc1O	65575742	VFDZGVSVFXDNAS-OAHLLOKOSA-N	327.384	1.326	50	40	EDGB	
O=C(NNC(=O)c1cncn1-c1ccccc1)c1n[nH]c2ccccc12	7137156	ZTVQSKSITTXRPV-UHFFFAOYSA-N	346.350	1.823	50	40	EDGB	
CC1=C2CC[C@H](C)CC23[C@H]2C(=O)OC(=O)[C@H]2C1[C@H]1C(=O)OC(=O)[C@H]13	169797347	RCLQIVSRMJYTOM-YCDOJSLJSA-N	330.336	1.384	50	40	EDGB	
C=CCOc1ccc(/C=N/NC(=O)CC(=O)NC(C)C)cc1OC	59515324	YBHZIRUMYBKGQQ-WOJGMQOQSA-N	333.388	1.625	50	40	EDGB	
N#C/C(=C/C1=Cc2ccccc2OC1)C(=O)N[C@H]1CCS(=O)(=O)C1	3298824	CHUNHUPABYBPDJ-OWTLUSIOSA-N	344.392	1.216	50	40	EDGB	
C/C(=N\NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccc(C#N)cc1	13134023	UTLVAZBOBMFEPG-DEDYPNTBSA-N	345.366	1.752	50	40	EDGB	
COc1cccc(C(=O)N/N=C(/N)c2cc3ccccc3oc2=O)c1	30937611	JEZVIDRAAZDCHT-UHFFFAOYSA-N	337.335	1.852	50	40	EDGB	
O=C(NNC(=O)c1cc(Br)c[nH]1)c1cc(C2CC2)[nH]n1	30516971	ARCBDGLEKCDRQN-UHFFFAOYSA-N	338.165	1.453	50	40	EDGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCC(N)=O)cc2)cc1	32707743	UZVYBUORMBVGAN-GRSHGNNSSA-N	327.340	1.323	50	40	EDGB	
Cc1cc(C(=O)NNS(=O)(=O)c2ccc(F)cc2F)c(C)o1	40460298	HHQFYRWOUUUSFL-UHFFFAOYSA-N	330.312	1.798	50	40	EDGB	
O=C(CBr)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1	35605297	MMPJSBOSYFVYNS-GFCCVEGCSA-N	341.205	1.929	50	40	EDGB	
Cc1cccc(NCC(=O)N/N=C/c2ccc(S(=O)(=O)O)o2)c1	2324633	VMYHSEQCXFSJCF-LZYBPNLTSA-N	337.357	1.397	50	40	EDGB	
O=C(NNC(=O)c1ccc(-c2ccc(Cl)cc2)o1)C(=O)NC1CC1	10213722	MLFTXSRQKWXLML-UHFFFAOYSA-N	347.758	1.640	50	40	EDGB	
CN(c1ccc(C(=O)N/N=C/c2cccc(F)c2)cc1)S(C)(=O)=O	409146225	SCPCEZODFBRPFL-WOJGMQOQSA-N	349.387	1.985	50	40	EDGB	
C[C@@H]1CN(CC(=O)NNC(=O)c2ccccc2Cl)C[C@@H](C)O1	15375624	UWGYZWGNQSXBTQ-GHMZBOCLSA-N	325.796	1.210	50	40	EDGB	
CS(=O)(=O)N(CCc1ccccc1)CC(=O)N/N=C\c1ccco1	33541948	GMPVMIPPHDODNJ-ATVHPVEESA-N	349.412	1.234	50	40	EDGB	
CS(=O)(=O)[C@@H](I)[C@H](O)c1cccc(N)c1	96519181	NEFGSXVCXLLXRT-RKDXNWHRSA-N	341.170	1.108	50	40	EDGB	
COc1cccc(C(=O)NNC(=O)COc2cccc(C)c2)c1OC	496754	GJHTWEWFBAGQDR-UHFFFAOYSA-N	344.367	1.852	50	40	EDGB	
C/C(N)=C(\C#N)C(=O)COC(=O)C[C@H]1Sc2ccccc2NC1=O	104396669	APPDXESGRACXQA-CFYYFVFUSA-N	345.380	1.358	50	40	EDGB	
CCOC(=O)c1ccc(NC(=S)NNC(=O)c2cccnc2)cc1	1405711	NUHRYSTXZWORBE-UHFFFAOYSA-N	344.396	1.890	50	40	EDGB	
O=C(COc1cccc2ccccc12)NNC(=O)CSCCO	2214624	VLIKFRRSRFYYGS-UHFFFAOYSA-N	334.397	1.092	50	40	EDGB	
O=C(NN[C@@H]1CC(=O)N(Cc2ccccc2)C1=O)c1ccc(F)cc1	102314247	PDNVRTCAPDBXSS-OAHLLOKOSA-N	341.342	1.388	50	40	EDGB	
Cc1cccc(S(=O)(=O)NNC(=O)c2sc(C)nc2C)c1	3203500	SPADUXHWHUNAGE-UHFFFAOYSA-N	325.415	1.692	50	40	EDGB	
O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1	59383472	NIQOCBAHQCRZOF-NZWFQIHVSA-N	344.198	1.739	50	40	EDGB	
Cc1ccc(C(=O)C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1	29896784	OYZIBBCBHKLZSD-HNNXBMFYSA-N	340.335	1.165	50	40	EDGB	
O=C(O)c1ccccc1/C=N/NC(=O)[C@H]1COc2ccccc2O1	3475721	XZRHQHCPJILXLZ-QANDDYDISA-N	326.308	1.675	50	40	EDGB	
COc1ccc(CC(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1	4657082	YCAQBNNQXNGGRP-KGLIPLIRSA-N	334.372	1.276	50	40	EDGB	
COc1ccc2oc(=O)c(C(=O)NNC(=O)c3ccccc3)cc2c1	5720907	WVBCPPXVQADSAX-UHFFFAOYSA-N	338.319	1.876	50	40	EDGB	
Cc1cc2c(c(=O)n1CCO)[C@@H](c1ccccc1F)C(C#N)=C(N)O2	4851032	KKBHIBJYLMLCSX-HNNXBMFYSA-N	341.342	1.506	50	40	EDGB	
Cc1ccc(N2C[C@H](C(=O)NNC(=O)c3cccs3)CC2=O)cc1	8357373	RGCDQHASCKVZGK-GFCCVEGCSA-N	343.408	1.871	50	40	EDGB	
O=C(Cn1ccc(C(F)(F)F)n1)N/N=C/c1ccc(O)cc1O	3236960	KAVDJFADGLQXBQ-UBKPWBPPSA-N	328.250	1.463	50	40	EDGB	
CCN(CC)C(=O)C(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1	59515459	FAVGQAFUROVFEM-LICLKQGHSA-N	337.376	1.031	50	40	EDGB	
Cc1cc2c(c(=O)n1C)[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2	2365411	IRSKXIDKIGLPCL-AWEZNQCLSA-N	338.323	1.820	50	40	EDGB	
C[C@@]1(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1(Cl)Cl	68970120	MASIKPDNFGHARY-MFKMUULPSA-N	345.182	1.558	50	40	EDGB	
Cc1cccc(OCC(=O)NNC(=O)c2cc([N+](=O)[O-])c[nH]2)c1C	9952945	SKSGWDSIKWRMTP-UHFFFAOYSA-N	332.316	1.380	50	40	EDGB	
N#CC1=C(SCC(N)=O)N[C@@H](N)[C@H](C#N)[C@@H]1c1ccccc1Cl	35941465	FROLKSMEZVGXGF-BIGNPOOSSA-N	347.831	1.405	50	40	EDGB	
CCn1ncc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)c1F	252479611	BIPQTNZRQCLXRH-FRKPEAEDSA-N	335.295	1.479	50	40	EDGB	
Cc1ccccc1NC(=O)C(=O)N/N=C1/C(=O)N(C)c2ccccc21	1994989	KDFLUINQSZXFQW-HMMYKYKNSA-N	336.351	1.430	50	40	EDGB	
COCCOC(=O)/C(C#N)=C/c1cn(CC(N)=O)c2ccccc12	107610318	ZXZIEMOJNAHHKZ-XYOKQWHBSA-N	327.340	1.223	50	40	EDGB	
NNC(=O)[C@H]1CN(C(=O)CCc2ccccc2)c2ccccc2O1	225329243	WDVNDHCNSAFEJF-MRXNPFEDSA-N	325.368	1.403	50	40	EDGB	
O=C(NN=Cc1cccc([N+](=O)[O-])c1)[C@@H]1COc2ccccc2O1	15919618	VRLGSFMSJHGVMV-HNNXBMFYSA-N	327.296	1.885	50	40	EDGB	
O=C(NCCCBr)NCc1n[nH]c(=O)c2ccccc12	5313528	GQQKOIJJMGJOJU-UHFFFAOYSA-N	339.193	1.507	50	40	EDGB	
COc1ccc(N2C[C@@H](C(=O)NNC(=O)CC(C)C)CC2=O)cc1	30602879	AAUUHLLVBYCMAH-LBPRGKRZSA-N	333.388	1.242	50	40	EDGB	
CC(=O)NNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1	23199206	XQQXHLAFECMOPD-CYBMUJFWSA-N	331.397	1.257	50	40	EDGB	
O=C(Cn1cnc2ccccc21)NNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2	106026733	LQABHRLBEACJAM-OBJOEFQTSA-N	343.456	1.720	50	40	EDGB	
O=C(NCc1cccnc1)C(=O)N/N=C/c1c(O)ccc2ccccc12	59435616	BQXVIZFUUFUFFS-WSDLNYQXSA-N	348.362	1.707	50	40	EDGB	
O=C(Cc1nc2ccccc2[nH]1)NNS(=O)(=O)c1cccc(F)c1	8762884	LDCRQVOUSCMKDT-UHFFFAOYSA-N	348.359	1.254	50	40	EDGB	
CCOC(=O)Nc1nnc(CC(=O)N/N=C/c2ccccc2)s1	408729047	AHMVYMUMHWAGCI-OQLLNIDSSA-N	333.373	1.799	50	40	EDGB	
CCN(CC)[C@H]1S[C@@H]2CS(=O)(=O)[C@H](Br)[C@@H]2S1	36724840	VMYACRIMMOHSLT-HXFLIBJXSA-N	346.337	1.978	50	40	EDGB	
CCC[C@H]1C2=C(C(=O)OC2=O)[C@@H]2[C@H](CC)CC3=C(C(=O)OC3=O)[C@H]12	73258400	ISPXPOYARSGEDK-YJFSRANCSA-N	330.336	1.839	50	40	EDGB	
COc1ccccc1C(=O)NNC(=O)[C@H]1CN(C)C[C@@H]1C(F)(F)F	1616037533	MHCHDLNQERDEBN-QWRGUYRKSA-N	345.321	1.196	50	40	EDGB	
O=C(O)CNC(=O)Cc1ccc(N(CCCl)CCCl)cc1	1721669	FYUVXIXIDXUJMW-UHFFFAOYSA-N	333.215	1.714	50	40	EDGB	
COc1cccc(/C=N\NC(=O)[C@H]2COc3ccccc3O2)c1O	13581732	LZNMAQBJCIHWSM-FNMPFJKNSA-N	328.324	1.691	50	40	EDGB	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2	102202566	AVKVTROIMBJUTG-AZHAFVHUSA-N	348.786	1.553	50	40	EDGB	
COc1ccc(C(=O)NC(=S)NNC(=O)c2cccc(C)c2)cc1	2135572	VZEUKTLKSQAGAF-UHFFFAOYSA-N	343.408	1.953	50	40	EDGB	
COc1cccc(/C=N/NC(=O)c2ccncc2)c1O[C@@H](C)C(=O)O	409229432	OYTNNEQHVCGXAU-VSMYLPJWSA-N	343.339	1.706	50	40	EDGB	
O=C(S[C@@H]1CS(=O)(=O)C[C@@H]1Cl)c1ccc([N+](=O)[O-])cc1	36719757	BTXOPYKZBLTCHE-VHSXEESVSA-N	335.790	1.873	50	40	EDGB	
COc1ccc(/C=N/NC(=O)Cn2cnc3ccccc3c2=O)cc1	141406	XXWLQBZMFDRSEW-KEBDBYFISA-N	336.351	1.555	50	40	EDGB	
Cc1ccc(S(=O)(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1	309100	NIBQRUYVQIQXHJ-HNNXBMFYSA-N	348.380	1.145	50	40	EDGB	
O=C(CN1CCC[C@H](c2ccncn2)C1)NNC(=O)c1ccccc1	58109149	UVBGHCHVEYGUMP-HNNXBMFYSA-N	339.399	1.117	50	40	EDGB	
Cn1nc(C(=O)NNC(=O)C[C@H]2C=CCC2)c2ccccc2c1=O	17193099	MNCYLGLPWAAYRW-NSHDSACASA-N	326.356	1.051	50	40	EDGB	
CCS(=O)(=O)[C@@H](I)[C@@H](O)c1ccccc1	96519231	BCIDBLRQXIDWMQ-VHSXEESVSA-N	340.182	1.916	50	40	EDGB	
Cc1ccc([C@@H](O)[C@H](I)S(C)(=O)=O)cc1	96519185	UKXIQKPDVSGOHD-NXEZZACHSA-N	340.182	1.834	50	40	EDGB	
CCOc1cccc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)c1	5874593	NZXPDTQRUPAFTC-BVIHXZOGSA-N	346.383	1.593	50	40	EDGB	
Cn1cccc1/C=N/NC(=O)CCCC(=O)N/N=C/c1cccn1C	2727415	KHBJRRCIIHWBJY-KLCVKJMQSA-N	342.403	1.134	50	40	EDGB	
O=C(N/N=C\c1ccc(S(=O)(=O)O)o1)c1ccc2c(c1)OCO2	12489534	BRBPIXKXTRRTAW-NSIKDUERSA-N	338.297	1.019	50	40	EDGB	
CC(=O)Nc1cccc(C(=O)NNC(=O)Cc2ccc(F)cc2)c1	9455599	MRWUPXWRSCBCIN-UHFFFAOYSA-N	329.331	1.788	50	40	EDGB	
O=C(CCc1ccccc1)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	318674	JGLRLUDDSZPFHJ-UHFFFAOYSA-N	349.368	1.537	50	40	EDGB	
O=C(N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)c1ccncc1	3087790	SVBZYSJZFUZRNH-VIZOYTHASA-N	331.244	1.368	50	40	EDGB	
Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)NN)cc3C[C@@H]2C)cc1	10326373	CJHMALQPTXNNGR-LBPRGKRZSA-N	345.424	1.738	50	40	EDGB	
O=C(NNC(=O)c1cc(Cl)ccc1O)c1ccc2c(c1)OCO2	10622969	WSRBVUNTKCKEJM-UHFFFAOYSA-N	334.715	1.849	50	40	EDGB	
CN(c1ccc(C(=O)N/N=C/c2ccccc2O)cc1)S(C)(=O)=O	409122139	ZQFROFVUNLYMCB-GZTJUZNOSA-N	347.396	1.552	50	40	EDGB	
O=C(NNC(=O)[C@H]1CCCC[C@H]1C(=O)O)c1ccc2c(c1)OCO2	4651691	PBEROEOSOCWTCU-WDEREUQCSA-N	334.328	1.067	50	40	EDGB	
Cc1cc(C)n(-c2ccc(C(=O)NNC(=O)c3ccccn3)cc2)n1	8327530	QZVQSBQJWYVFFI-UHFFFAOYSA-N	335.367	1.959	50	40	EDGB	
COc1ccc(CC(=O)NNC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1	17068748	YCAQBNNQXNGGRP-KBPBESRZSA-N	334.372	1.276	50	40	EDGB	
C#CCN1C(=O)/C(=N/NC(=O)CNc2ccccc2C)c2ccccc21	17951976	VDDRIKBNXLZGDF-FCDQGJHFSA-N	346.390	1.907	50	40	EDGB	
N#C/C(=C\c1ccc(Sc2nnnn2-c2ccccc2)o1)C(N)=O	408987179	ARZIDJQRLFAVFP-CSKARUKUSA-N	338.352	1.799	50	40	EDGB	
COc1ccc(C(=O)N2C[C@@H](C(=O)NN)Oc3ccccc32)cc1	225330601	SDEOEDOPMZVUFA-HNNXBMFYSA-N	327.340	1.093	50	40	EDGB	
COc1cccc(/C=N/NC(=O)C(=O)NC2CCCCCC2)c1O	15224600	AFYKLHZSSVPRDP-WOJGMQOQSA-N	333.388	1.690	50	40	EDGB	
COc1ccc(-c2cc(C(=O)NN=C3CCN(C)CC3)[nH]n2)cc1	40161307	CDXKIYQFBZPZRX-UHFFFAOYSA-N	327.388	1.897	50	40	EDGB	
CCc1cc(C(=O)NNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)cs1	102210924	GYZCOMSSBIXYIP-VDUILEQBSA-N	336.413	1.818	50	40	EDGB	
Cc1cc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c2ccccc2n1	25042864	QUYVHRRZSUSBAT-CYBMUJFWSA-N	347.440	1.649	50	40	EDGB	
COC(=O)CSC1=C(C#N)[C@@H](c2cccc(OC)c2)CC(=O)N1	9015088	BFYRUYKJNSQQER-GFCCVEGCSA-N	332.381	1.940	50	40	EDGB	
CCOC(=O)NNC(=O)CCc1nc(-c2ccc(C)c(F)c2)no1	65552174	ONDMZIJAVJYHHZ-UHFFFAOYSA-N	336.323	1.894	50	40	EDGB	
Cc1nc(C(=O)NNC(=O)c2nnc(-c3ccccc3)o2)cs1	66337034	OJPRHGJEQPSQQE-UHFFFAOYSA-N	329.341	1.576	50	40	EDGB	
CCS(=O)(=O)[C@H](Br)[C@H](O)c1ccc([N+](=O)[O-])cc1	96519084	MRLHWFYXCMIWQR-ZJUUUORDSA-N	338.179	1.784	50	40	EDGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)ccc1O	492416	LTJTZFUVKYNWSU-AWEZNQCLSA-N	326.308	1.881	50	40	EDGB	
CNC(=S)NNC(=O)[C@@H](C)c1ncc(C(F)(F)F)cc1Cl	3134790	KZOLGXJJTRIAAT-YFKPBYRVSA-N	340.758	1.982	50	40	EDGB	
O=C(NNC(=S)NC1CCCCC1)[C@H]1COc2ccccc2O1	5604787	IYCBURWCJWRQTB-CQSZACIVSA-N	335.429	1.654	50	40	EDGB	
O=C(N/N=C1/CCS(=O)(=O)c2ccc(F)cc21)c1ccccn1	33040428	LFGHCVUTBZBFCN-PDGQHHTCSA-N	333.344	1.532	50	40	EDGB	
CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)CCCC(=O)O	12137215	CBCOUWVMDWUJMA-GFCCVEGCSA-N	336.388	1.981	50	40	EDGB	
NC(=O)C[C@@H](NS(=O)(=O)c1ccc(CCCCl)cc1)C1CC1	75147517	PGIXFFSPQYRKMJ-CQSZACIVSA-N	344.864	1.790	50	40	EDGB	
COCCCNC(=O)CC(=O)N/N=C/c1ccccc1C(F)(F)F	5720038	GGBPCNZDWCTNRD-KEBDBYFISA-N	345.321	1.698	50	40	EDGB	
O=C(NNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccs1	4833060	VTPBUBWCYYVNBL-UHFFFAOYSA-N	327.343	1.280	50	40	EDGB	
Cc1cc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)ccc1[N+](=O)[O-]	12771273	WKAGQBYECLVJJX-GFCCVEGCSA-N	341.389	1.009	50	40	EDGB	
CCOc1ccc(S(=O)(=O)NNC(=O)C(C)C)cc1OCC	9691263	HUPLKIUJZXUBJL-UHFFFAOYSA-N	330.406	1.450	50	40	EDGB	
O=C(NNC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2)c1ccccc1Cl	408673632	XGDFTTURTGCYSB-YBHTYTBLSA-N	334.759	1.299	50	40	EDGB	
CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4cccnc4)[C@@H]3[C@H]1CC2	112030604	SWCPFQKCXXHWFE-ZSGPHXLJSA-N	342.406	1.968	50	40	EDGB	
NC(=O)Cn1cc(/C=N\NC(=O)c2ccccc2O)c2ccccc21	83318087	QMYWLJQOIQTMKA-UKWGHVSLSA-N	336.351	1.596	50	40	EDGB	
COc1cc2c(cc1[C@@H]1C(C#N)=C(N)Oc3[nH]nc(C)c31)OCO2	581382	SEIIMOYURNZQIR-CQSZACIVSA-N	326.312	1.674	50	40	EDGB	
C[C@H](NC(=O)c1ccccc1F)C(=O)NNC(=O)C1CCCCC1	2713484	UXFJOOPIHZXQHD-NSHDSACASA-N	335.379	1.672	50	40	EDGB	
O=C(NNC(=O)C1(c2ccccc2)CCOCC1)c1ccccn1	42008963	ZDYGDMRWGOCXFM-UHFFFAOYSA-N	325.368	1.591	50	40	EDGB	
CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccoc3)[C@H]2C1	808890	ANSQRQZSXFLMMD-JKSUJKDBSA-N	333.351	1.551	50	40	EDGB	
O=C(O)c1ccccc1/C=N/NC(=O)c1n[nH]c(=O)c2ccccc12	5272522	PJZLLUDHXVQNBG-GIJQJNRQSA-N	336.307	1.385	50	40	EDGB	
CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1	9428917	PENDNONREBJGCA-UHFFFAOYSA-N	346.836	1.157	50	40	EDGB	
CC(=O)NNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1	409004924	YJWDOTWCCDQRBN-UHFFFAOYSA-N	342.311	1.628	50	40	EDGB	
Cc1ccccc1-n1nc(C(=O)NN(C)C[C@@H](C)O)c2c1CCC2	585088010	HBSASZFCWUODEM-CYBMUJFWSA-N	328.416	1.627	50	40	EDGB	
COc1cc(/C=N/NC(=O)c2ccncc2)c([N+](=O)[O-])cc1OC	313022	HTRDLVFWGINDKX-RQZCQDPDSA-N	330.300	1.771	50	40	EDGB	
O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Oc1ccc([N+](=O)[O-])cc1	6948170	HNXMEOHZYXOHGC-ZIAGYGMSSA-N	344.323	1.842	50	40	EDGB	
O=C(NNC(=O)c1cnccn1)N[C@@H]1CCSc2ccccc21	32795367	UVACTXTVYQXQCK-LLVKDONJSA-N	329.385	1.658	50	40	EDGB	
O=C(COc1cccc(F)c1)NNC(=O)c1ccc([N+](=O)[O-])cc1	2617892	ZQYKOVMPLADTLZ-UHFFFAOYSA-N	333.275	1.574	50	40	EDGB	
COc1ccccc1C(=O)NNC(=O)[C@@H]1CN(C)C[C@@H]1C(F)(F)F	1616037528	MHCHDLNQERDEBN-MNOVXSKESA-N	345.321	1.196	50	40	EDGB	
O=C(NNC(=O)c1ccco1)NS(=O)(=O)c1ccccc1Cl	12345958	JGJZZIAUYXCVFT-UHFFFAOYSA-N	343.748	1.266	50	40	EDGB	
COc1ccccc1/C=N/NC(=O)CC(=O)NCc1cccnc1	4851666	GIOPTZGBCHQUJM-UDWIEESQSA-N	326.356	1.247	50	40	EDGB	
CCC(=O)N1CCc2cc(C(=O)NNC(=O)c3ccoc3C)ccc21	95350885	FELADPRHVFPBPQ-UHFFFAOYSA-N	341.367	1.962	50	40	EDGB	
O=S(=O)(Nc1ccccc1-n1cnnn1)[C@@H]1CCCC[C@@H]1Cl	65553933	ZWMBCEURGNNNKZ-GXFFZTMASA-N	341.824	1.954	50	40	EDGB	
Cn1cc(C(=O)NNS(=O)(=O)c2ccccc2)c2ccccc21	9157551	FNJDXNKYDWUWEV-UHFFFAOYSA-N	329.381	1.802	50	40	EDGB	
O=C(O)COc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1	35800507	WUJOCSGCXGXTJC-GRSHGNNSSA-N	330.315	1.982	50	40	EDGB	
O=C(NNS(=O)(=O)/C=C/c1ccccc1)c1ccc2c(c1)OCO2	16148612	CEEMGFWNJLHRCK-CMDGGOBGSA-N	346.364	1.650	50	40	EDGB	
Cc1cc(C)nc(NNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)n1	21127043	OKTPFOFMRSWISN-LBPRGKRZSA-N	329.360	1.178	50	40	EDGB	
CN(C)c1ccc([C@@H]2C(C#N)=C(O)NC(=O)[C@@H]2[n+]2ccccc2)cc1	4663303	HHIWBSAJJLGZPZ-IAGOWNOFSA-O	335.387	1.788	50	40	EDGB	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc2c(c1)OCO2	4680862	QIGHOONMTWBOAF-SNVBAGLBSA-N	346.314	1.783	50	40	EDGB	
Cc1ccc(OCC(=O)N/N=C\c2ccc(OCC(N)=O)cc2)cc1	32112043	SSMNBCQQIBOFIL-JMIUGGIZSA-N	341.367	1.388	50	40	EDGB	
Cn1cccc1C(=O)NNS(=O)(=O)c1ccc(F)c(Cl)c1	45499994	RBHYKQXKZYCIFA-UHFFFAOYSA-N	331.756	1.441	50	40	EDGB	
CCCCCC(=O)NC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1	2072017	HJSDEXYLVAFJRN-UHFFFAOYSA-N	338.389	1.811	50	40	EDGB	
CCOC(=O)N[C@]1(C(Cl)Cl)N=C(c2ccccc2)NC1=O	101426482	GUFCRRDONJWVTO-ZDUSSCGKSA-N	330.171	1.809	50	40	EDGB	
C[C@H]1CN(CC(=O)NNC(=O)c2ccccc2Cl)C[C@@H](C)O1	15375626	UWGYZWGNQSXBTQ-PHIMTYICSA-N	325.796	1.210	50	40	EDGB	
Cc1ccc(OCC(=O)NC(=S)NNC(=O)c2ccncc2)cc1	6845548	BLTVKYQRKMMUAQ-UHFFFAOYSA-N	344.396	1.105	50	40	EDGB	
CCc1noc(C)c1C(=O)NNC(=O)c1cc(OC)cc(OC)c1	8193807	WPKJYXKLNKZJPA-UHFFFAOYSA-N	333.344	1.637	50	40	EDGB	
O=C(NCCNC(=O)C(Cl)Cl)c1nc2ccccc2s1	101679744	JLEVUSYHODAKTO-UHFFFAOYSA-N	332.212	1.946	50	40	EDGB	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2cnn(C)c2C)c1C	11509980	GNHUGLAWQJCUGD-ZDUSSCGKSA-N	330.388	1.574	50	40	EDGB	
COC(=O)CSC1=C(C#N)[C@@H](c2ccccc2[N+](=O)[O-])CC(=O)N1	4156161	QRPDWFZQLXMCQG-SNVBAGLBSA-N	347.352	1.840	50	40	EDGB	
Cc1cc(=O)[nH]c2cc(NC(=O)CSS(C)(=O)=O)ccc12	22053978	OZYQGMKTSNMWBF-UHFFFAOYSA-N	326.399	1.468	50	40	EDGB	in-vitro
COc1cccc(CNC(=O)NNC(=O)c2ccc3c(c2)OCO3)c1	24987202	XXTPXIUPISSKSH-UHFFFAOYSA-N	343.339	1.568	50	40	EDGB	
COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C(=O)O)c2)cc1	3211564	ZUUXXUGEDCITNT-VCHYOVAHSA-N	341.323	1.482	50	40	EDGB	
CCn1c(NNC(=O)Cc2c(C)noc2C)nc2ccccc2c1=O	11159488	XSEYPWIFFUBPAD-UHFFFAOYSA-N	341.371	1.707	50	40	EDGB	
CC(C)CC(=O)NNC(=O)C1CCN(C(=O)c2cccs2)CC1	21972431	PUMANMHTBQHFCT-UHFFFAOYSA-N	337.445	1.794	50	40	EDGB	
COc1ccc(NCC(=O)NNC(=O)c2ccc(C)c(OC)c2)cc1	12781787	YJJZVHYDEJNIMB-UHFFFAOYSA-N	343.383	1.885	50	40	EDGB	
COC(=O)Oc1ccc(/C=N/NC(=O)c2ccncc2)cc1OC	4502881	WDONKRLDEQEBIP-VCHYOVAHSA-N	329.312	1.999	50	40	EDGB	
COc1ccc(CC(=O)NNC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1	8727369	FYEDNSKWCLPMLZ-UHFFFAOYSA-N	343.383	1.846	50	40	EDGB	
COc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc([N+](=O)[O-])c1O	36130085	LORGCOYKVCQARV-JXDHDYMSSA-N	347.327	1.511	50	40	EDGB	
N#CC1=C(SCC(N)=O)NC2=C(C(=O)CCC2)[C@@H]1c1ccco1	20029471	VRXQWWWCUOIKIH-AWEZNQCLSA-N	329.381	1.927	50	40	EDGB	
Cc1ccc(/C=N/NC(=O)[C@@H](c2ccncc2)N2CCOCC2)cc1	20057216	YCJVMDHBCIKFOP-ALDSOSFCSA-N	338.411	1.914	50	40	EDGB	
CCC[C@H](C)NC(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1	40498099	IIZDRDHNAYLWCN-JTQLQIEISA-N	339.392	1.845	50	40	EDGB	
CC1=CC(=O)/C(=C(/C)NNC(=O)c2cc(C)n(C(F)F)n2)C(=O)O1	101540615	QPNPNCBQNYLNOU-DHZHZOJOSA-N	340.286	1.125	50	40	EDGB	
COc1ccccc1OCC(=O)NNC(=O)c1c(F)cccc1F	3306746	WHYVJVVHEJVWPX-UHFFFAOYSA-N	336.294	1.813	50	40	EDGB	
CCOC(=O)N1CCC(=NNC(=O)COc2ccc(OC)cc2)CC1	5445417	PTUCZNASCXYOFI-UHFFFAOYSA-N	349.387	1.799	50	40	EDGB	
CCC(=O)NNC(=O)COCC(=O)Nc1ccc(C)c(Cl)c1	4696027	YCZLCYQFALZGJD-UHFFFAOYSA-N	327.768	1.161	50	40	EDGB	
CCN(CC)[C@@H]1S[C@@H]2CS(=O)(=O)[C@H](Br)[C@@H]2S1	36724838	VMYACRIMMOHSLT-LURQLKTLSA-N	346.337	1.978	50	40	EDGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2ccccc2)c1C#N	195427	RKJDVNVQUPJKLX-KEBDBYFISA-N	338.367	1.937	50	40	EDGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccccn2)c(OC)c1	59516113	GOBRUXWICASAQF-VCHYOVAHSA-N	328.328	1.188	50	40	EDGB	
O=C(COC(=O)/C=C/c1cccs1)NNC(=O)c1ccccc1	32876698	YUOSSICNEFRURY-CMDGGOBGSA-N	330.365	1.766	50	40	EDGB	
CC(=O)Nc1nnc(CC(=O)N/N=C/c2ccccc2Cl)s1	408730277	GSAKARPLEBGPJA-VIZOYTHASA-N	337.792	1.843	50	40	EDGB	
O=C(N/N=C\c1cc(O)ccc1[N+](=O)[O-])[C@H]1COc2ccccc2O1	36113032	WMIRAXKQMGOZNU-TUBDAXHVSA-N	343.295	1.591	50	40	EDGB	
COc1ccc2nc(C)cc(SC[C@H](NC(C)=O)C(=O)NN)c2c1	5516209	IDLZJTRYSAWLOM-AWEZNQCLSA-N	348.428	1.139	50	40	EDGB	
C/C(=N\NC(=O)c1ccc(N(C)C)cc1)c1c(O)cc(C)oc1=O	6626138	YQBIQIQERUPIJC-WOJGMQOQSA-N	329.356	1.874	50	40	EDGB	
O=C(NN=C1c2ccccc2-c2ccccc21)[C@@H]1CCS(=O)(=O)C1	7324189	UTMNCQDGTQTAOE-GFCCVEGCSA-N	340.404	1.970	50	40	EDGB	
Cn1c(=O)[nH]c(=O)c2c1nc(CCl)n2CC(=O)c1ccccc1	36047737	UHFIKFKCJDRKAT-UHFFFAOYSA-N	332.747	1.045	50	40	EDGB	
CCc1ccc2c(c1)/C(=N/NC(=O)COC)C(=O)N2C1CSC1	223726000	MBYBJVHTEFEZJC-SDXDJHTJSA-N	333.413	1.178	50	40	EDGB	
COc1cc(C2C(C#N)=C(N)SC(N)=C2C#N)cc2c1OCO2	85408657	IJXJJWBTZQNAME-UHFFFAOYSA-N	328.353	1.642	50	40	EDGB	
C[C@@H](NC(=O)c1ccccc1F)C(=O)NNC(=O)C1CCCCC1	2713486	UXFJOOPIHZXQHD-LLVKDONJSA-N	335.379	1.672	50	40	EDGB	
CCCCNC(=O)C(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1	59386556	VTRLVEGOWDXZKY-VCHYOVAHSA-N	337.376	1.079	50	40	EDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccco1)c1ccc(F)cc1	408780707	IRGHFEYNADHKKQ-CXUHLZMHSA-N	339.348	1.335	50	40	EDGB	
O=C(NNC(=O)c1cn[nH]n1)Nc1ccccc1OC1CCCC1	95942626	VRUTWJOJTCAWMD-UHFFFAOYSA-N	330.348	1.593	50	40	EDGB	
N#CC1=C(SCC(N)=O)N[C@@H](N)[C@H](C#N)[C@H]1c1ccccc1Cl	35941463	FROLKSMEZVGXGF-OWYVNGRQSA-N	347.831	1.405	50	40	EDGB	
Cc1cccc([C@@H](O)[C@@H](I)S(C)(=O)=O)c1	96519211	FGANCCPJHWZGME-ZJUUUORDSA-N	340.182	1.834	50	40	EDGB	
COc1ccc(/C=N/NC(=O)Cc2nnc(NC(C)=O)s2)cc1	191553	JEKRQAPXAVOVQD-OVCLIPMQSA-N	333.373	1.198	50	40	EDGB	
CC(=O)c1cccc(NC(=O)C(=O)[C@H](C(=O)NN)c2ccccc2)c1	5713167	YUWYMRDWXUCODA-OAHLLOKOSA-N	339.351	1.171	50	40	EDGB	
CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1ccc(Br)cn1	16694126	LPIMQEAAELAKFD-POHAHGRESA-N	333.145	1.636	50	40	EDGB	
CCOc1cccc(/C=N/NC(=O)[C@@H](N)Cc2ccc(O)cc2)c1O	1576704	WCIVWAFEQRECEZ-BBJIBYMTSA-N	343.383	1.517	50	40	EDGB	
COC(=O)CSC1=C(C#N)[C@@H](c2ccc([N+](=O)[O-])cc2)CC(=O)N1	1840559	IZXBQKFFNPGOCW-LLVKDONJSA-N	347.352	1.840	50	40	EDGB	
CC1(C)[C@]2(C)CC[C@]1(C(=O)NNC(=O)Cc1ccccc1)OC2=O	100260565	DPOADRMQRWCCCK-QZTJIDSGSA-N	330.384	1.498	50	40	EDGB	
C/C(=N/NC(N)=O)C(=O)Nc1ccc(I)cc1	68572184	QXQTYVJEQNQJJH-NSIKDUERSA-N	346.128	1.274	50	40	EDGB	
COC(=O)c1ccc(/C=N/NC(=O)C(=O)N2CCC(C)CC2)cc1	6646029	DHQIBVQFBKRGTG-WOJGMQOQSA-N	331.372	1.182	50	40	EDGB	
Cc1ccc(C(=O)NN[C@H]2CC(=O)N(c3cccc(F)c3)C2=O)cc1	95115772	NWNUUARARJGUAF-HNNXBMFYSA-N	341.342	1.701	50	40	EDGB	
COc1ccc(OC)c(/C=N/NC(=O)CC(=O)NC2CCCCC2)c1	335755	KJQYEYJDBHFPBP-XDHOZWIPSA-N	347.415	1.993	50	40	EDGB	
CC[N+](CC)=C1S[C@@H]2CS(=O)(=O)[C@H](Br)[C@@H]2S1	5247806	FVJBSQVZXZYAQQ-PRJMDXOYSA-N	345.329	1.761	50	40	EDGB	
N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)NCc1ccco1	5635888	UDSUYUZCPNITEV-MDWZMJQESA-N	326.308	1.966	50	40	EDGB	
O=C(Cn1cnc([N+](=O)[O-])n1)N/N=C/c1c(O)ccc2ccccc12	49791	TYRMLRKFMLFAPF-REZTVBANSA-N	340.299	1.195	50	40	EDGB	
CCCCOc1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)cc1	4580782	AIECOBCWGNBENV-KGLIPLIRSA-N	345.848	2.000	50	40	EDGB	
O=C(CN1CCCCCC1=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	22198812	TXMHMUCLMXLNJB-UHFFFAOYSA-N	347.459	1.753	50	40	EDGB	
Cn1c(CC(=O)NNC(=O)Cc2ccccc2F)nc2ccccc21	6648400	WXFCEYGKZYZFRK-UHFFFAOYSA-N	340.358	1.645	50	40	EDGB	
O=C(COc1cccc(C(F)(F)F)c1)NNC(=O)c1cnccn1	6946605	TXOIGHSIUHXUNX-UHFFFAOYSA-N	340.261	1.335	50	40	EDGB	
O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1cccs1	408615265	OEVFDNXWYLZFAW-SNVBAGLBSA-N	347.371	1.701	50	40	EDGB	
O=C(NNC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1ccc(F)cc1	1357808	OUYFRUNNWGZMTD-CYBMUJFWSA-N	343.362	1.293	50	40	EDGB	
Cn1cccc1CC(=O)NNC(=S)NC(=O)c1ccc(F)cc1	3206279	IJIJQMINDXDPNE-UHFFFAOYSA-N	334.376	1.042	50	40	EDGB	
O=C(N/N=C/c1ccc(Br)cc1)C(=O)NC1CCCC1	59515565	CCRIYGRTQONWOX-CXUHLZMHSA-N	338.205	1.958	50	40	EDGB	
O=C(NCc1ccc2c(c1)OCO2)C(=O)N/N=C/c1cccs1	111499830	MZTUZFMPLRENAV-CAOOACKPSA-N	331.353	1.243	50	40	EDGB	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)c(C)c1	4724013	DTEBGNMWVPOVNY-KGLIPLIRSA-N	348.399	1.721	50	40	EDGB	
N#C[C@@H](c1cnn(-c2ccccc2)c1)N1CCN(C(=O)CCl)CC1	20268685	IHAYLIUSBQWJTF-INIZCTEOSA-N	343.818	1.820	50	40	EDGB	
CCOC(=O)Cc1n[nH]c2c1[C@@H](c1ccccc1F)C(C#N)=C(N)O2	500965	TUXMXDJMAQKQED-AWEZNQCLSA-N	342.330	1.873	50	40	EDGB	
COc1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2OC)cc1	4838887	ZORPUHJVGBVAAK-UHFFFAOYSA-N	343.339	1.104	50	40	EDGB	
CN(CC(=O)N/N=C/c1ccccc1)S(=O)(=O)c1ccc(F)cc1	6544594	XUGVYRALLDSLTN-WOJGMQOQSA-N	349.387	1.597	50	40	EDGB	
CCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(O)c(OCC)c1	6879427	DWICZEOAPOCQSL-CAOOACKPSA-N	327.768	1.421	50	40	EDGB	
O=C(NNC(=O)[C@@H]1CCCN1C(=O)c1cccs1)c1ccco1	12885264	BMOGCKNRYJVTHA-JTQLQIEISA-N	333.369	1.407	50	40	EDGB	
CCCCN1C(=O)/C(=C\NNC(=O)c2ccccc2)C(O)=NC1=S	38165665	KSHVXBNUUBLVFM-BENRWUELSA-N	346.412	1.689	50	40	EDGB	
Cc1ccccc1C(=O)NNC(=O)c1cccnc1N1CCOCC1	14419442	IHTBMWBKALZECD-UHFFFAOYSA-N	340.383	1.301	50	40	EDGB	
O=C(Cc1ccccc1F)NNC(=O)[C@@H]1COc2ccccc2O1	7406594	UMUREUCBNHCLPG-HNNXBMFYSA-N	330.315	1.356	50	40	EDGB	
CC1=C2CC[C@H](C)CC23[C@@H]2C(=O)OC(=O)[C@@H]2C1[C@H]1C(=O)OC(=O)[C@H]13	239402721	RCLQIVSRMJYTOM-CQZXLHNUSA-N	330.336	1.384	50	40	EDGB	
O=C(NN1C(=O)[C@H](Cl)[C@@H]1c1ccccc1O)c1ccccc1O	1633495	HSFPEPKEBLETNN-KGLIPLIRSA-N	332.743	1.934	50	40	EDGB	
Cc1occc1C(=O)NNC(=O)[C@@H]1CCCN(c2ccccn2)C1	44979841	YADNWPRXKQQGQI-CYBMUJFWSA-N	328.372	1.661	50	40	EDGB	
CNC(=O)/C(C#N)=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1	5017878	DALAVIMXDZJSIM-XFXZXTDPSA-N	345.380	1.411	50	40	EDGB	
OB(O)c1c(F)cc(Br)c(OCc2ccccc2)c1F	169995160	ZROLYOUHNLANTP-UHFFFAOYSA-N	342.932	1.986	50	40	EDGB	
CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)C2CC2)cc1	2136037	LJUFQFXDVDKVNZ-UHFFFAOYSA-N	335.429	1.621	50	40	EDGB	
CCOc1ccccc1OCC(=O)NNC(=O)c1ccc(C#N)cc1	3395720	ZTRVRUAJBITRJF-UHFFFAOYSA-N	339.351	1.797	50	40	EDGB	
Cc1nc2ccccn2c1C(=O)NNC(=O)Cc1cn2ccccc2n1	69375801	NWNZOJCAZNVMQQ-UHFFFAOYSA-N	348.366	1.294	50	40	EDGB	
CC(=O)N/N=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1	58883213	WRNJEGFQANRUEZ-BKUYFWCQSA-N	339.395	1.894	50	40	EDGB	
COc1ccc(N(C(=O)CCl)[C@@H]2C=CS(=O)(=O)C2)cc1OC	36108809	DBWRZRJUFPYXRV-LLVKDONJSA-N	345.804	1.586	50	40	EDGB	
COc1ccc(/C=N/NC(=O)c2cc(C)nn2C)c(C(=O)O)c1OC	36621737	GNVMEQMWQQRRJZ-CAOOACKPSA-N	346.343	1.208	50	40	EDGB	
Cc1ccc(C(=O)NNC(=S)NC(=O)Cc2ccccc2)cc1	6845077	XGWTVTAJWPEHNJ-UHFFFAOYSA-N	327.409	1.873	50	40	EDGB	
COc1cc(/C=N/NC(=O)C(=O)NC2CCCCCC2)ccc1O	15227568	GEZCHGFOEXRYDD-WOJGMQOQSA-N	333.388	1.690	50	40	EDGB	
Cc1ccc(C(=O)NNc2ncc(F)c(N3CCOCC3)n2)cc1	6845085	KHPRSLXVXOZLRJ-UHFFFAOYSA-N	331.351	1.518	50	40	EDGB	
O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)c1ccc2c(c1)OCCO2	84581738	IUMPBBYQRIJBAT-INIZCTEOSA-N	340.335	1.223	50	40	EDGB	
Cc1cccc(C)c1OCC(=O)NNC(=O)[C@H]1Cc2ccccc2O1	12765302	ROSSOLILTWVUQU-MRXNPFEDSA-N	340.379	1.833	50	40	EDGB	
C=CCOc1cccc(/C=N/NC(=O)C(=O)NCc2ccncc2)c1	59459497	AXWQRAXTUOCDBC-FYJGNVAPSA-N	338.367	1.413	50	40	EDGB	
Cc1nn(CC(=O)N/N=C/c2ccc(F)s2)c(C)c1[N+](=O)[O-]	252500457	SWAMJOMPPPIRKF-LHHJGKSTSA-N	325.325	1.759	50	40	EDGB	
O=C(O)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1	2732585	SZMLIHJSNXUOCQ-UHFFFAOYSA-N	326.201	1.853	50	40	EDGB	
CCCCCC(=O)NNC(=S)NC(=O)c1ccccc1[N+](=O)[O-]	2064478	KSABWYBEPQXRRV-UHFFFAOYSA-N	338.389	1.811	50	40	EDGB	
NC(=S)NNC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	8377623	FCOAQDJUNOUSTJ-UHFFFAOYSA-N	340.748	1.986	50	40	EDGB	
COc1ccc(C)cc1N(CC(=O)NN=C(C)C)S(C)(=O)=O	408774917	YUHZDGHZIVXYPF-UHFFFAOYSA-N	327.406	1.282	50	40	EDGB	
O=C(Nc1ccc2ncccc2c1)N[C@@H]1CS(=O)(=O)C[C@H]1Cl	575424027	JNIOKWGMMNYEJS-DGCLKSJQSA-N	339.804	1.761	50	40	EDGB	
CCc1[nH]nc2c1[C@@H](c1cc(OC)c3c(c1)OCO3)C(C#N)=C(N)O2	15109281	BPFUALSTMPLIFO-ZDUSSCGKSA-N	340.339	1.928	50	40	EDGB	
CC1(C)NC(=O)N(C[C@H](Br)CBr)C1=O	345982	GKASZJKBGUWQEX-RXMQYKEDSA-N	328.004	1.475	50	40	EDGB	
COC(=O)Cc1[nH]nc2c1[C@@H](c1ccc(F)cc1F)C(C#N)=C(N)O2	803864	IVVQNXRLRGHNSW-ZDUSSCGKSA-N	346.293	1.622	50	40	EDGB	
O=C(CNC(=O)c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1	1883275	LXMTZDGZBZFSJS-VCHYOVAHSA-N	326.312	1.475	50	40	EDGB	
O=C(Cn1ccc(C(F)(F)F)n1)N/N=C/c1cccc(O)c1O	3233019	UEYNUJVXAHDDQS-UBKPWBPPSA-N	328.250	1.463	50	40	EDGB	
NNC(=O)/C(=C\c1ccco1)NC(=O)c1ccc(Br)o1	4520391	ZCSJOPFCLLZNTD-SOFGYWHQSA-N	340.133	1.396	50	40	EDGB	
Nc1ccc(C(=O)NN2C(=O)[C@@H](Cl)[C@H]2c2cccc(O)c2)cc1	5580716	DLROLMYUVONQJA-UONOGXRCSA-N	331.759	1.810	50	40	EDGB	
O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1c(Cl)cccc1Cl	3085696	HNMQOYKGIZHBFP-SEYNJHBTSA-N	344.198	1.739	50	40	EDGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc([N+](=O)[O-])c1O	18168863	GRGWMVJZLNKGBW-LBPRGKRZSA-N	343.299	1.559	50	40	EDGB	
NNC(=O)c1csc(CS(=O)(=O)c2ccc(Cl)cc2)n1	120682	LHFIQOGDBKJPTK-UHFFFAOYSA-N	331.806	1.374	50	40	EDGB	
CC1(C)[C@@]2(C)CC[C@@]1(C(=O)N1CCNCC1)[C@@H](Br)C2=O	108624940	MMPGHLULZXDWJQ-LKTVYLICSA-N	343.265	1.577	50	40	EDGB	
N#C/C(=C\c1ccc(-c2cccc(C(=O)O)c2)o1)C(=O)NC(N)=O	4682287	XSHIOPCROPJSOM-YRNVUSSQSA-N	325.280	1.747	50	40	EDGB	
Cc1ccc(NC(=O)COCC(=O)NNC(=O)c2ccccc2)cc1	4700470	LTDAZZCZVQOCFF-UHFFFAOYSA-N	341.367	1.411	50	40	EDGB	
O=C(Cn1nnc(-c2ccc(F)cc2)n1)N/N=C/c1cccs1	408735975	ZCSFVRXKVBFWGO-LZYBPNLTSA-N	330.348	1.691	50	40	EDGB	
OCC[N@+]12CO[C@@H]3CCC[C@H](C[C@H]1CI)[C@@H]32	254311225	OMTYTCOKKOZNSI-MOWSAHLDSA-N	338.209	1.528	50	40	EDGB	
COc1ccc2c3c1O[C@@H]1[C@@H](O)[C@@H](Cl)C=C4[C@@H](C2)N(C)CC[C@]431	253505624	YINRMDCHZPUWLJ-DVYMDJDXSA-N	333.815	1.863	50	40	EDGB	biogenic,in-vitro
CCCCN1C(=O)/C(=C/NNC(=O)c2ccncc2)C(O)=NC1=S	2298400	GSOTUTHHIUFUPD-PKNBQFBNSA-N	347.400	1.084	50	40	EDGB	
Cc1cc(C)nc(NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1	14511611	ZAZHIOGRPHIHGG-UHFFFAOYSA-N	332.276	1.667	50	40	EDGB	
CN(CCOc1cccc(Cl)c1)CC(=O)NNC(=O)C1CCC1	69698196	VFRPPAYTHLXCLV-UHFFFAOYSA-N	339.823	1.598	50	40	EDGB	
O=C(Cn1nnc(-c2ccc(F)cc2)n1)N/N=C/c1ccccc1F	408734908	GZDQWFYXCRGVSP-DJKKODMXSA-N	342.309	1.769	50	40	EDGB	
COc1ccccc1C(=O)N1C[C@@H](C(=O)NN)Oc2ccccc21	225330884	NUZHUNOSRHLQDU-HNNXBMFYSA-N	327.340	1.093	50	40	EDGB	
Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NNC(=O)C(C)(C)C	585119847	XFEVMZVUTRQBIG-UHFFFAOYSA-N	349.796	1.912	50	40	EDGB	
CCCCCCc1cc(B(O)O)c(CCCCCC)cc1B(O)O	169807358	LBOFMYIWYRYZPH-UHFFFAOYSA-N	334.074	1.292	50	40	EDGB	
Cc1cccc(OCC(=O)NNC(=O)C(=O)Nc2ccccc2C)c1	5942950	VRWUNIJBUBNQGV-UHFFFAOYSA-N	341.367	1.468	50	40	EDGB	
CNC(=O)C1=C2SC[C@](C)(O)N2C(N)=C(C#N)[C@@H]1c1ccccc1	481761	MXIXVEUSTRZUIE-SJCJKPOMSA-N	342.424	1.193	50	40	EDGB	
Cc1ccc(C(=O)NN[C@@H]2CC(=O)N(c3ccccc3F)C2=O)cc1	527618	VCVUKZMRZJQWJG-CQSZACIVSA-N	341.342	1.701	50	40	EDGB	
O=NN(CC(=O)NNc1ccccc1)CC(=O)NNc1ccccc1	4692466	GMCWBXDBYUUHBM-UHFFFAOYSA-N	342.359	1.256	50	40	EDGB	
Nc1nonc1C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	8935010	GCWVEUZMILQIMJ-FRKPEAEDSA-N	342.271	1.584	50	40	EDGB	
COc1ccccc1NC(=O)C(=O)NNC(=O)c1ccccc1F	2622243	JUNNQRSPJJYFNK-UHFFFAOYSA-N	331.303	1.234	50	40	EDGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)c(O)c1	409391190	HSKGSINHKIXBIR-GIJQJNRQSA-N	344.323	1.628	50	40	EDGB	
Cc1c(Cl)cccc1-n1nc(C(=O)NN)c2ccccc2c1=O	6921316	IOUKHXWEVLCSCU-UHFFFAOYSA-N	328.759	1.951	50	40	EDGB	
O=C(NNC(=O)N1CCC(C(=O)O)CC1)c1cccc(Cl)c1	7991080	SLWXIIGKBKOCOG-UHFFFAOYSA-N	325.752	1.491	50	40	EDGB	
O=C(NNC(=O)C1CCN(c2nccs2)CC1)c1ccc(F)cc1	89781073	LRAJMPZRXUEUFM-UHFFFAOYSA-N	348.403	1.960	50	40	EDGB	
Cc1cc(=O)[nH]c(NN2[C@@H](Cl)C(=O)[C@@H]2c2cccc([N+](=O)[O-])c2)n1	17218991	HEBFSZRHHAHSIC-WCQYABFASA-N	349.734	1.504	50	40	EDGB	
O=C(C[C@@H]1CCS(=O)(=O)C1)NNC(=O)c1ccc2ccccc2c1	10105014	BILQWMVOYVFVDJ-LBPRGKRZSA-N	346.408	1.426	50	40	EDGB	
CCCCC(=O)NN/C=C1\C(=O)NC(=O)N(c2ccccc2F)C1=O	10257299	NGOYECWBJGRFOK-MDZDMXLPSA-N	348.334	1.103	50	40	EDGB	
O=C(N/N=C\c1cc(O)ccc1[N+](=O)[O-])c1ccc2c(c1)OCO2	36132236	CNINKURWYNLTKD-APSNUPSMSA-N	329.268	1.793	50	40	EDGB	
CCc1ccccc1OCC(=O)NNC(=O)c1n[nH]c2ccccc12	9219978	ALFDXVNEJNTXLP-UHFFFAOYSA-N	338.367	1.965	50	40	EDGB	
O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/NC(=O)c1cccc(F)c1	4702465	RKPBEKUJUKHNCK-UHFFFAOYSA-N	328.259	1.820	50	40	EDGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc([N+](=O)[O-])s1	409088746	XYGUWEXHJLFQQL-OMCISZLKSA-N	348.340	1.947	50	40	EDGB	
COc1ccc(-c2ncc(C(=O)NN)c(N3CCCC3)n2)cc1OC	223460083	ZOZXOXBWVXINRL-UHFFFAOYSA-N	343.387	1.365	50	40	EDGB	
CSS(=O)(=O)c1ccc(N/C=C2\SC(=O)NC2=O)cc1	584906283	PMYFASZVICEHKI-TWGQIWQCSA-N	330.412	1.975	50	40	EDGB	
O=C(NNc1ccc(Br)cc1)[C@@H]1CC(=O)N(C2CC2)C1	48426303	QWCAOMBDOROQJU-SECBINFHSA-N	338.205	1.903	50	40	EDGB	
O=C(CC(=O)NC1CCCCC1)N/N=C/c1ccccc1[N+](=O)[O-]	335785	CUWVWMPEWXQNBH-GZTJUZNOSA-N	332.360	1.884	50	40	EDGB	
C[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)c1ccccc1Cl	3612432	UICJQMUWZOBGHI-NSHDSACASA-N	345.786	1.920	50	40	EDGB	
COc1ccc(OCC(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1	6684565	NHTKIIUGVJPUDR-VCHYOVAHSA-N	328.324	1.923	50	40	EDGB	
O=C(NNC(=O)c1ccccc1Br)c1ccc[n+]([O-])c1	14075370	RFBVZTBGUROBOM-UHFFFAOYSA-N	336.145	1.157	50	40	EDGB	
O=C(O)COc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1	4739982	CZMCAEUIXNYGGE-HKJBKDEOSA-N	328.324	1.334	50	40	EDGB	
COC(=O)[C@H]1CC12CCN(S(=O)(=O)CC(C)(C)CCl)CC2	583651121	FQPNDPHYQWJIFI-LLVKDONJSA-N	337.869	1.856	50	40	EDGB	
CCOc1ncccc1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	6310489	DDVBXLGUMGTJSU-AWEZNQCLSA-N	343.339	1.081	50	40	EDGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc(OC[C@@H]2CCCO2)cc1	104837007	BBGQARJTAHHNLS-JORMNFRLSA-N	344.367	1.727	50	40	EDGB	
C[C@@H](NC(=O)c1ccccc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1	1956238	UGJPOCJEGMPTGJ-MBNTZHJCSA-N	340.339	1.863	50	40	EDGB	
CCOc1cc(/C=N/NC(=O)c2ccncc2)cc([N+](=O)[O-])c1O	36206882	NUOXMHNEHSCWJX-RQZCQDPDSA-N	330.300	1.858	50	40	EDGB	
COCCCNC(=O)CC(=O)N/N=C\c1c(O)ccc2ccccc12	57466552	XCEKMNQHQYQPQM-NDENLUEZSA-N	343.383	1.538	50	40	EDGB	
CNC(=O)NNC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O	65885650	JRZQNCYJPCWFKK-HNNXBMFYSA-N	339.351	1.715	50	40	EDGB	
Cn1cc([C@@H]2OCCC[C@H]2C(=O)NNC(=O)C2C(C)(C)C2(C)C)cn1	585088506	FQZXKITZXUCDMJ-OLZOCXBDSA-N	348.447	1.717	50	40	EDGB	
NNC(=O)CCCCCN1C(=O)c2cccc3cccc(c23)C1=O	4192758	CGEFNKPBWCDFHQ-UHFFFAOYSA-N	325.368	1.986	50	40	EDGB	
Cc1ccc(/C=C/C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)o1	3341920	BABYGDGXQPBMJL-HVHJFMEUSA-N	328.324	1.589	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c(C)c1	12918408	ODDBUVDZZFFPFH-MRXNPFEDSA-N	326.352	1.904	50	40	EDGB	
Cc1nc(C(=O)NNC(=O)c2ccco2)nn1-c1ccc(F)cc1	13002057	NJKSCJFLNSBYOI-UHFFFAOYSA-N	329.291	1.383	50	40	EDGB	
O=C(NN/C=C1/C(=O)N(C2CC2)C(=S)N=C1O)c1ccccc1	6927263	NXDJHZGEYMLSHR-DHZHZOJOSA-N	330.369	1.051	50	40	EDGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCC(=O)O	33773414	GRQZWHANMQMQQT-QPEQYQDCSA-N	332.356	1.980	50	40	EDGB	
CC1=C(N2CC2)C(=O)c2nc3n(c2C1=O)CC[C@@H]3OC(=O)CCl	5501325	PNJHXCRCPJOGIV-QMMMGPOBSA-N	335.747	1.079	50	40	EDGB	
COc1cc(C(=O)NNC(=O)c2cccn2C)cc(OC)c1OC	13004675	MRWFMOJNBUGUQQ-UHFFFAOYSA-N	333.344	1.126	50	40	EDGB	
C=CCN1C(=O)/C(=N/NC(=O)[C@H](O)c2ccccc2)c2ccccc21	17822245	GIVRTHPHILTSOT-PBEQFFAXSA-N	335.363	1.773	50	40	EDGB	
O=C(N/N=C/[C@@H]1C[C@H]2C=C[C@H]1C2)C(=O)N/N=C/[C@@H]1C[C@H]2C=C[C@H]1C2	106270301	NGTNPOWMSTVRGR-CGTONUKBSA-N	326.400	1.615	50	40	EDGB	
COC(=O)c1sccc1S(=O)(=O)NNC(=O)c1ccoc1C	9385367	NHLUULNOKUZHKF-UHFFFAOYSA-N	344.370	1.059	50	40	EDGB	
O=C(CNc1nc2ccccc2s1)NNC(=O)C1CCOCC1	22382873	ODQROMQQXYDQSP-UHFFFAOYSA-N	334.401	1.282	50	40	EDGB	
Cc1ccc(/C=N/NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1	408735918	YLRAWPBYNWPCJX-VXLYETTFSA-N	338.346	1.938	50	40	EDGB	
O=C(CN1C(=O)COc2ccccc21)NNC(=O)NC1CCCCC1	35312766	PTUHSFORMDPIAA-UHFFFAOYSA-N	346.387	1.075	50	40	EDGB	
COC(=O)CSC1=C(C#N)[C@H](c2ccccc2OC)CC(=O)N1	8996141	NXYDQNQEOTVWTM-NSHDSACASA-N	332.381	1.940	50	40	EDGB	
CN(C)C(/C=C/Nc1ccc(S(=O)(=O)N(C)C)cc1)=C(C#N)C#N	100251639	YGGFZJDGDYTHKP-MDZDMXLPSA-N	345.428	1.725	50	40	EDGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(Br)cc1	7782261	GFKPRAFFFHZCGX-KOLYXTFFSA-N	326.194	1.814	50	40	EDGB	
CC[C@H](C)C(=O)NNS(=O)(=O)c1ccc2c(c1)OCCCO2	55617640	STXLDPFECBKPHR-JTQLQIEISA-N	328.390	1.204	50	40	EDGB	
CC(C)[C@H](C)NCC(=O)NNC(=O)c1ccc(Br)cc1	6510561	WUJAVOYJSCZQOI-JTQLQIEISA-N	342.237	1.844	50	40	EDGB	
COc1ccc(N2C[C@H](C(=O)N/N=C\c3ccco3)CC2=O)cc1	409170237	UHJFVNDNNZIBDP-HIPMGEKLSA-N	327.340	1.791	50	40	EDGB	
COC(=O)c1ccc(/C=N/NC(=O)C(=O)NC2CCCCCC2)cc1	15224603	JHVOTORARZQPEP-XDHOZWIPSA-N	345.399	1.762	50	40	EDGB	
CC1(C)[C@@]2(C)NC(=O)[C@@]1(C#N)C(C#N)=C(I)N2	100240638	CVZCGHPLDNFUIJ-GHMZBOCLSA-N	342.140	1.142	50	40	EDGB	
C/C(=N\NC(=O)CN1CCN(Cc2ccccc2)CC1)c1ccco1	22921243	FNJYGFDQANCTOF-CAPFRKAQSA-N	340.427	1.938	50	40	EDGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc(N2CCCC2=O)cc1	104812848	IUFFHPIXMKWLRB-KAMYIIQDSA-N	327.340	1.296	50	40	EDGB	
COC(=O)COc1ccccc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21	9704076	ANILXRLAFGKYGJ-HNNXBMFYSA-N	340.339	1.488	50	40	EDGB	
O=C(NCc1ccccc1)C(=O)N/N=C/c1ccc(C(=O)O)cc1	3088675	MXGRVUVXCYNADL-YBFXNURJSA-N	325.324	1.151	50	40	EDGB	
Cc1ccc(C(=O)NCC(=O)NNC(=O)c2ccccc2)cc1C	5824689	WBQLZCPHHDMCFG-UHFFFAOYSA-N	325.368	1.494	50	40	EDGB	
Cc1ccc(S(=O)(=O)NC(=O)NNC(=O)c2ccccc2)cc1	5929582	PKYGGRIBYFYEBO-UHFFFAOYSA-N	333.369	1.328	50	40	EDGB	
O=C(CSc1nccc(O)n1)NNC(=S)Nc1ccccc1	16489954	QUGZKIMTXOIKAJ-UHFFFAOYSA-N	335.414	1.292	50	40	EDGB	
O=C(NN[C@H]1CC(=O)N(c2ccccc2Cl)C1=O)c1ccccc1	90451	UELDDNXZCLTEEA-ZDUSSCGKSA-N	343.770	1.907	50	40	EDGB	
CCc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(OC)c2)cc1	4838867	WJEWXOGIOJZALY-UHFFFAOYSA-N	341.367	1.657	50	40	EDGB	
O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1cccc2ccccc12	7783510	PHIKCDMPCFYEIV-PZUDMAOCSA-N	325.368	1.585	50	40	EDGB	
Cc1scc(C(=O)NNC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)c1C	102198237	AJXALPZZKVFHDX-BJDJZHNGSA-N	338.385	1.004	50	40	EDGB	
Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NN)cc2)cc1	3885858	JERDRLBWANWUAX-UHFFFAOYSA-N	333.413	1.419	50	40	EDGB	
CC(C)NC(=O)C(=O)NNC(=O)Cc1c(Cl)cccc1Cl	7003648	IIARCBBDEYROQI-UHFFFAOYSA-N	332.187	1.208	50	40	EDGB	
CCn1nc(C(=O)NNC(=O)C2CCCCC2)c2ccccc2c1=O	7723320	WKHVWZHPMIDRGB-UHFFFAOYSA-N	342.399	1.758	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccccc1F)c1c[nH]c2ccccc12	8073660	ITPFUFMSXVVXHU-UHFFFAOYSA-N	333.344	1.930	50	40	EDGB	
O=C(N/N=C/c1cc([N+](=O)[O-])c(O)cc1O)c1ccc2c(c1)OCO2	18039874	IGBXAYHXPPCDKY-OMCISZLKSA-N	345.267	1.499	50	40	EDGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C\c1ccccc1[N+](=O)[O-]	83309281	BWGBINQJRHLNIG-LSCVHKIXSA-N	342.311	1.886	50	40	EDGB	
N#CC1=C(N)N=C(N2CCOCC2)[C@@]12C(=O)OC1=C2CCCCC1	66091654	TVVMCYQIPGUSHM-KRWDZBQOSA-N	328.372	1.186	50	40	EDGB	
C[C@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)c1ccccc1F)CS2	32967463	RBEHDHPYHVQZQA-ABAIWWIYSA-N	337.376	1.041	50	40	EDGB	
COc1ccccc1OCC(=O)N/N=C(\C)CC(=O)NCC(C)C	4523552	GEXOYNNMFZDXQQ-CPNJWEJPSA-N	335.404	1.728	50	40	EDGB	
CCCCC/C(C[C@@H]1NC(=S)NC1=O)=N\NC(=O)c1ccncc1	4783196	XCTKVSMFNAGWLC-DZUMZMOTSA-N	347.444	1.511	50	40	EDGB	
CN(C)N(C(=O)Cc1ccc2c(c1)CCC2)[C@H]1CCS(=O)(=O)C1	68525972	YYUXKNYPLRSSGW-INIZCTEOSA-N	336.457	1.210	50	40	EDGB	
COc1cc(/C=N/NC(=O)c2cccnc2)ccc1O[C@@H](C)C(=O)O	409009852	AARPYGMPNAXSSM-LOMXTUQMSA-N	343.339	1.706	50	40	EDGB	
CS(=O)(=O)[C@@H](I)C(=O)c1ccc(N)cc1	96517912	XCKGSSVDXPIIRF-SECBINFHSA-N	339.154	1.257	50	40	EDGB	
O=C(NNS(=O)(=O)c1cc(Cl)cnc1Cl)C1CCCC1	585118851	FHHLKVADRAHPAL-UHFFFAOYSA-N	338.216	1.888	50	40	EDGB	
Cc1cnn(C)c1S(=O)(=O)N1CCC2(CC1)C[C@@H]2Br	1615055625	OWPJAIKNNIMBLL-JTQLQIEISA-N	348.266	1.667	50	40	EDGB	
N#CCOc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1	8082265	CMSBGINLTDLFAD-MLHZQLSASA-N	337.335	1.879	50	40	EDGB	
O=C(CSc1ccccn1)NNC(=O)c1cccc([N+](=O)[O-])c1	5395320	BTXMBNSTIORXHA-UHFFFAOYSA-N	332.341	1.543	50	40	EDGB	
CCCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1	27018741	BOMRJZASOWVPJZ-YVGNARHYSA-N	348.424	1.686	50	40	EDGB	
COc1cc(OC)cc(C(=O)NNC(=O)COc2ccccc2C)c1	3553192	KXHSYRKNICBYNT-UHFFFAOYSA-N	344.367	1.852	50	40	EDGB	
CC(C)n1nc(C(=O)NNC(=O)[C@@H]2C[C@H]2C)c2ccccc2c1=O	14240098	YQFFTYDRKLOVLI-ZWNOBZJWSA-N	328.372	1.394	50	40	EDGB	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(=O)[nH]c2)c1C	7138774	XZECYBFZIWLMOB-LBPRGKRZSA-N	329.356	1.220	50	40	EDGB	
COc1ccc(CCNCCC(=O)N/N=C/c2ccco2)cc1OC	18192331	DIVSUWVHIIGEER-DEDYPNTBSA-N	345.399	1.969	50	40	EDGB	
CCC[C@H]1C2=C(C(=O)OC2=O)[C@H]2[C@H]1C1=C(C[C@H]2CC)C(=O)OC1=O	73258404	ISPXPOYARSGEDK-OYBPUVFXSA-N	330.336	1.839	50	40	EDGB	
CCNc1nc(NNC(=O)CNc2ccccc2)nc(NC(C)C)n1	41124456	WZLHAMNNQVEENV-UHFFFAOYSA-N	344.423	1.679	50	40	EDGB	
CO[C@@H](C(=O)NNC(=O)COc1ccccc1C)c1ccccc1	5943194	VLGKMMPMGLQHNS-QGZVFWFLSA-N	328.368	1.909	50	40	EDGB	
COc1ccccc1C(=O)NC(=S)NNC(=O)c1ccncc1	6928244	NVEGMGJGWIKWAA-UHFFFAOYSA-N	330.369	1.040	50	40	EDGB	
CCOC(=O)c1cc(C(=O)NNC(=O)c2ccccc2)c(C)nc1C	3260554	DMDMPBTYBWRMAV-UHFFFAOYSA-N	341.367	1.950	50	40	EDGB	
Cc1[nH]c(C(=O)NNC(=O)c2ccccn2)c(C)c1C(=O)OC(C)C	17329080	LHIJZYKOKIIQSP-UHFFFAOYSA-N	344.371	1.667	50	40	EDGB	
O=C(N/N=C/c1ccccc1O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	4405384	FUHIGVCWTNTTTF-OVCLIPMQSA-N	330.256	1.973	50	40	EDGB	
Cc1nn(-c2ccccc2)c(O)c1/C=N\NC(=O)Cc1cccn1C	71335814	BKDYNXWFYZXROR-UNOMPAQXSA-N	337.383	1.918	50	40	EDGB	
CCS(=O)(=O)[C@@H](Br)C(=O)c1cccc([N+](=O)[O-])c1	96517878	QKQVWXWAVGYCLB-SNVBAGLBSA-N	336.163	1.933	50	40	EDGB	
O=C(N/N=C/c1ccncc1)c1c(O)n2c3c(cccc3c1=O)CC2	5997840	IMFXYDDDPOAHCA-KEBDBYFISA-N	334.335	1.422	50	40	EDGB	
C/C=c1\sc2n(c1=O)C(N)=C(C#N)[C@H](C)C=2C(=O)c1ccccc1	5382408	CUWRDSYEVOYNIV-BQCRBFDSSA-N	337.404	1.044	50	40	EDGB	
O=C(NCc1ccco1)C(=O)N/N=C/c1c(O)ccc2ccccc12	7813098	UPHRXMLYTPVBKW-RGVLZGJSSA-N	337.335	1.905	50	40	EDGB	
CC(=O)Nc1ccc(Cl)cc1[C@H](NCC(=O)NN)c1ccccc1	55145969	FQIHYXDZYMOYDC-QGZVFWFLSA-N	346.818	1.967	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)COC(=O)c2ccccc2C)cc1	10862222	ZMZHPFPGZDJNCY-UHFFFAOYSA-N	326.352	1.921	50	40	EDGB	
O=C(CSc1nnc2ccccn12)NNC(=O)c1ccccc1	3496201	YISALNQNUARXJT-UHFFFAOYSA-N	327.369	1.283	50	40	EDGB	
O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1O	83327001	DOFPQEGMDXCVCV-NVNXTCNLSA-N	330.256	1.973	50	40	EDGB	
O=C(Cc1ccccc1)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	310125	WVBZDCHESQSLJC-UHFFFAOYSA-N	335.341	1.147	50	40	EDGB	
Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)NN)cc2)c1	6024054	ZNAZNPQKFPFYQD-UHFFFAOYSA-N	335.385	1.165	50	40	EDGB	
Cc1cccc(OCC(=O)NC(=S)NNC(=O)c2cccs2)c1	6860433	DVANWZNFYDALJX-UHFFFAOYSA-N	349.437	1.771	50	40	EDGB	
Nc1nnc(CC(=O)N/N=C\c2ccc(Br)cc2)s1	100542715	AIANLQKCZUVQBL-NSIKDUERSA-N	340.206	1.576	50	40	EDGB	
N#CCC(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1	6241402	YYBMTPUNSZWZGO-XDHOZWIPSA-N	328.372	1.442	50	40	EDGB	
Cc1ccccc1NNC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O	13988072	RHIHKSBPULBNIU-ZIAGYGMSSA-N	327.384	1.779	50	40	EDGB	
C[C@@H](Oc1ccccc1)C(=O)N/N=C/c1ccc(OCC(N)=O)cc1	4544337	PMVAFCNKVZCXDL-AYPRBGQRSA-N	341.367	1.468	50	40	EDGB	
COc1cccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c1OC	3475497	WJKOSZQUUNOFFE-JJLFXSABSA-N	342.351	1.994	50	40	EDGB	
CNC(=O)/C(C#N)=C/c1c(N2CCCCC2)nc2ccccn2c1=O	551490	HPHKMIQIOVLHLG-ACCUITESSA-N	337.383	1.338	50	40	EDGB	
O=C(NNC(=O)C1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	3131174	IPLXRIPEIXZFNK-UHFFFAOYSA-N	336.304	1.844	50	40	EDGB	
CC(C)CNC(=O)C(=O)N/N=C/c1ccc(Br)cc1	7782229	MOVLVTZIUONVOR-LZYBPNLTSA-N	326.194	1.671	50	40	EDGB	
Cc1cn2c3c(=O)n(CC(C)C)c(=O)n(C)c3nc2n1CCCl	10104382	QXEUOBHKUBGSQE-UHFFFAOYSA-N	337.811	1.353	50	40	EDGB	
CN1C(=O)/C(=N\NC(=O)COc2ccc(C#N)cc2)c2ccccc21	102652959	JWDPKEOUDAORRZ-FXBPSFAMSA-N	334.335	1.434	50	40	EDGB	
COc1ccccc1OCC(=O)NNC(=S)NCc1ccccc1	15872823	GBJUYCJCNBQFHV-UHFFFAOYSA-N	345.424	1.770	50	40	EDGB	
Cn1c(NNC(=O)c2ccc(C(C)(C)C)cc2)cc(=O)n(C)c1=O	2706486	NCICFNVNQYOTNT-UHFFFAOYSA-N	330.388	1.138	50	40	EDGB	
COc1cccc(C(=O)NNC(=O)C(=O)Nc2cccc(C)c2)c1	4838859	JRZZRZFNCHSZMB-UHFFFAOYSA-N	327.340	1.403	50	40	EDGB	
C/C(=N\NC(=O)[C@@H]1CCCO1)c1ccc(N2CCOCC2)c(F)c1	43972378	CRCHEZXVMPLNJH-QUYZQLMHSA-N	335.379	1.682	50	40	EDGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1	2697038	YLWIZXNJMOGQTE-YVGNARHYSA-N	346.408	1.462	50	40	EDGB	
Cc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(N)=O)c2)cc1	6214648	MQESJHVBSJZDCU-LICLKQGHSA-N	333.369	1.765	50	40	EDGB	
O=C(N/N=C\c1ccc(O)c(O)c1)N/N=C/c1ccc(O)c(O)c1	39321581	BRHXDZBOSDPKDA-NIVQCIBKSA-N	330.300	1.176	50	40	EDGB	
Cc1ccc(OCc2nc(CC(=O)NN(C)C[C@@H](C)O)cs2)cc1	585087983	FLTWJFZVENCEAO-CYBMUJFWSA-N	349.456	1.917	50	40	EDGB	
COC(=O)c1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1	3080363	BTUOGWHCOVEBSF-VXLYETTFSA-N	343.314	1.701	50	40	EDGB	
O=C(CCc1ccccc1)NNS(=O)(=O)c1ccccc1[N+](=O)[O-]	55623	NSIUDDDDNMGRKZ-UHFFFAOYSA-N	349.368	1.537	50	40	EDGB	
O=S(=O)(O)C(I)I	8214545	RVIRCOIWERMNCC-UHFFFAOYSA-N	347.899	1.028	50	40	EDGB	in-man
O=C(CBr)OC/C=C\COC(=O)CBr	100058024	SIHKVAXULDBIIY-UPHRSURJSA-N	329.972	1.419	50	40	EDGB	
Cc1ccc2nsnc2c1S(=O)(=O)NNC(=O)c1ccncc1	2268229	WTZRYTGXYDGHNT-UHFFFAOYSA-N	349.397	1.018	50	40	EDGB	
CC(=O)Nc1ccc(NC(=O)C(=O)N/N=C/c2cccnc2)cc1	2423786	YOISDYBXDQVTQQ-VCHYOVAHSA-N	325.328	1.129	50	40	EDGB	
C=CCNC(=O)NC(=O)COC(=O)/C(C#N)=C/c1ccc(OC)cc1	2635749	KRRUBZXQVNYUKC-UKTHLTGXSA-N	343.339	1.157	50	40	EDGB	
O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1cccs1	408615264	OEVFDNXWYLZFAW-JTQLQIEISA-N	347.371	1.701	50	40	EDGB	
NNC(=O)CSc1cc(C(F)(F)F)cc(N2CCOCC2)n1	43179104	CNKFCWHLHVBBBM-UHFFFAOYSA-N	336.339	1.019	50	40	EDGB	
CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)NNC(=O)c1ccccc1C	65564558	JYRFCYSOYDQMKC-BXUZGUMPSA-N	349.456	1.704	50	40	EDGB	
O=C(COC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)NNC(=O)c1cccs1	102338173	CNKKFISUVMLQTG-SRVKXCTJSA-N	336.413	1.879	50	40	EDGB	
Cc1cccn2c(=O)c(C=C(C#N)C#N)c(N3CCN(C)CC3)nc12	552702	DAEAVFBVHZXPFA-UHFFFAOYSA-N	334.383	1.185	50	40	EDGB	
CC1(C)[C@@]2(C)CC[C@@]1(C(=O)N/N=C/c1ccc3c(c1)OCO3)OC2=O	100260198	CNCVZNPURRVSBS-IEHMZHNKSA-N	344.367	1.987	50	40	EDGB	
O=C(COC(=O)c1ccc(Cl)nc1)NNC(=O)c1ccccc1	3529619	ALSBQZFASWQSOG-UHFFFAOYSA-N	333.731	1.353	50	40	EDGB	
COc1ccc(NC(=O)CCC(=O)N/N=C/c2ccncc2)cc1	5100742	HWFJGAHWPKWBEQ-XDHOZWIPSA-N	326.356	1.959	50	40	EDGB	
COC(=O)CSCC[Si]12O[C@@H](C)CN(C[C@H](C)O1)C[C@H](C)O2	247811977	CYRVWXPKWRVJML-AVGNSLFASA-N	349.525	1.376	50	40	EDGB	
CC(C)Oc1ccc(S(=O)(=O)NNC(=O)CC(C)(C)C)cn1	585141539	WVRCLOOKBLCYEA-UHFFFAOYSA-N	329.422	1.615	50	40	EDGB	
COc1cc(C(=O)NNc2ncc(Cl)cn2)cc(OC)c1OC	72427695	FBKRKMANFBUILI-UHFFFAOYSA-N	338.751	1.913	50	40	EDGB	
COS(=O)(=O)C(=O)N[C@@H]1CCCC[C@@H]1I	1712348	JFCWZSSYFOQMLI-NKWVEPMBSA-N	347.174	1.418	50	40	EDGB	
Cc1ccc(O)c(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)c1	6964455	ZVGDMMKYZYKZNR-UFWORHAWSA-N	327.340	1.992	50	40	EDGB	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1	72275289	UREMQTRTVKGYIF-UHFFFAOYSA-N	344.762	1.836	50	40	EDGB	
Cc1cc(/C=N/NC(N)=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	59248173	YCWLXJMBIQUAMI-CNHKJKLMSA-N	344.327	1.493	50	40	EDGB	
CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)NNC(=O)c2cccc(O)c2)C1	5465430	KLCDWFXUOXVPRF-UONOGXRCSA-N	332.356	1.600	50	40	EDGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C\c1ccc(O)cc1O	96544590	PDNPLPIJWISOCX-WSVATBPTSA-N	329.312	1.389	50	40	EDGB	
Cc1ccc2nc([C@H]3CCCN3C(=O)c3ccc(B(O)O)cc3)[nH]c2c1	584944266	JYJJVHZGMXXDKZ-QGZVFWFLSA-N	349.199	1.528	50	40	EDGB	
Nc1nonc1C(=O)N/N=C/c1cc([N+](=O)[O-])c(Cl)cc1Cl	1030224	UYCCUBBNTMSJPC-LZWSPWQCSA-N	345.102	1.631	50	40	EDGB	
O=C(CNC(=O)c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])s1	2278333	GFXCXLANLQRORB-LZYBPNLTSA-N	332.341	1.536	50	40	EDGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)c1ccncc1	1431160	GSBSAZLHADMKOJ-RQZCQDPDSA-N	330.300	1.771	50	40	EDGB	
CN(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1	3089265	BAKARLGSUYQGBJ-WOJGMQOQSA-N	340.339	1.817	50	40	EDGB	
N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccccc1[N+](=O)[O-]	1870913	YYZJHCHFUGRDDU-ZDUSSCGKSA-N	341.279	1.258	50	40	EDGB	biogenic,in-vitro
COc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1ccccn1	409247335	MXSOOHISZSOKLM-DEDYPNTBSA-N	340.383	1.691	50	40	EDGB	
C/C(=N\NC(=O)[C@@H]1CCCN(C(=O)C(F)(F)F)C1)c1cccnc1	12346440	FFLKIFLRLVEVHS-HMASQMOLSA-N	342.321	1.723	50	40	EDGB	
O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccccc1O	3471563	LXSUZVUZPCIEMW-CPNJWEJPSA-N	325.368	1.993	50	40	EDGB	
C/C(=N\NC(=O)CCc1c(O)n[nH]c1C)c1cccc([N+](=O)[O-])c1	17968532	ZYPPDVBRLOEUJZ-CXUHLZMHSA-N	331.332	1.805	50	40	EDGB	
CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NNC(=O)C1CCCCC1	32992738	XYZKRUHYVABGMT-QGZVFWFLSA-N	343.427	1.688	50	40	EDGB	
CCCN1CCC(=NNC(=O)c2n[nH]cc2Br)CC1	54969037	COTCAYLYTXGAJK-UHFFFAOYSA-N	328.214	1.764	50	40	EDGB	
CN(C)c1ccc(/C=N/NC(=O)c2nn(C)c(=O)c3ccccc23)cc1	6407641	XJPMVPXAAKLQJJ-UDWIEESQSA-N	349.394	1.763	50	40	EDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccco1)c1cccc(F)c1	409128639	FYIQMUZTTMPTTL-CXUHLZMHSA-N	339.348	1.335	50	40	EDGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1cc([N+](=O)[O-])ccc1O	16693866	DQWKPYVUSMQDPB-XFFZJAGNSA-N	328.284	1.435	50	40	EDGB	
O=C(S[C@@H]1CS(=O)(=O)C[C@@H]1Cl)c1ccccc1[N+](=O)[O-]	16789889	VMALSXBURDSOGJ-WCBMZHEXSA-N	335.790	1.873	50	40	EDGB	
O=C(N/N=C/c1c(Cl)nc2ccccn2c1=O)c1cccnc1	3167576	CUKVDIKXSAKVOY-GIJQJNRQSA-N	327.731	1.507	50	40	EDGB	
CCc1n[nH]c2c1[C@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2	5053253	JUPMMNDREQFFNZ-CYBMUJFWSA-N	342.355	1.913	50	40	EDGB	biogenic,in-vitro
CCCn1c(O)c(C(=O)NNC(=O)CCl)c(=O)c2ccccc21	5904454	TUMZLGOHGUOVFV-UHFFFAOYSA-N	337.763	1.117	50	40	EDGB	
CC(=O)OC[C@H]1[C@@H]2C[C@@H]3[C@H](OC(=O)[C@@H]31)[C@H]2I	101577461	GKYCWSYKPXPGKN-IKERETKASA-N	336.125	1.161	50	40	EDGB	
Cn1ccnc1CN1CCC(C(=O)NNC(=O)c2cccs2)CC1	44973519	QNAOSFBLTXMOHN-UHFFFAOYSA-N	347.444	1.155	50	40	EDGB	
CCOc1ncccc1CNC(=O)NNC(=O)c1ccc(C)cc1	40498080	OAPGSCROJPLIPP-UHFFFAOYSA-N	328.372	1.933	50	40	EDGB	
CC(=O)N1CCN(C(=O)/C(C#N)=C\c2ccc3c(c2)OCO3)CC1	6055579	SLMVCFXQUBENRP-ZSOIEALJSA-N	327.340	1.013	50	40	EDGB	
COC(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1	9703997	OOCIIYOSUWGVHE-OAHLLOKOSA-N	340.339	1.488	50	40	EDGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccc2c(c1)OCO2	35585861	FMHVZKUENFROAM-FRKPEAEDSA-N	329.268	1.793	50	40	EDGB	
O=C(CCC(=O)NNC(=O)Cc1ccccc1)NCc1ccccc1	2134663	CXNAZWOGTXMGCM-UHFFFAOYSA-N	339.395	1.473	50	40	EDGB	
CSc1ccc(/C=N/NC(=O)C(=O)NCc2ccccn2)cc1	59444324	YZGLVRXSVLTIEO-VXLYETTFSA-N	328.397	1.570	50	40	EDGB	
CCOc1ccc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1	12849148	YOYFJVRVFXOTAO-INIZCTEOSA-N	342.351	1.686	50	40	EDGB	
O=C(CSc1nnc(O)nc1O)N/N=C/C=C/c1ccccc1	13638503	OWJDEXJMHRUAKK-DUEVJXGLSA-N	331.357	1.190	50	40	EDGB	
C#CCN1C(=O)[C@@]2(C(C#N)=C(N)OC(C)=C2C(=O)OC)c2ccccc21	5024439	PQGWJQRLYULDIO-LJQANCHMSA-N	349.346	1.075	50	40	EDGB	
N#Cc1ccccc1OCC(=O)NNC(=O)COc1ccccc1F	6509125	PLVVQHDKDGXOTC-UHFFFAOYSA-N	343.314	1.303	50	40	EDGB	
N#Cc1ccc(N2CCC(C(=O)NNC(=O)c3ccco3)CC2)nc1	44894257	IJNWVFUJFCMBGN-UHFFFAOYSA-N	339.355	1.224	50	40	EDGB	
CCN(CC)c1ccc(/C=N/NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1	196010	IZCMDJWVEARGNO-RQZCQDPDSA-N	345.363	1.183	50	40	EDGB	
Cc1ccc(NC(=O)C(=O)N/N=C2/C(=O)N(C)c3ccccc32)cc1	1883006	OAYSTACAQUDFCV-HMMYKYKNSA-N	336.351	1.430	50	40	EDGB	
CCCc1c(C(=O)NNC(=O)c2ccccn2)[nH]c(C)c1C(C)=O	48168041	DCWIPKJHWSWWRR-UHFFFAOYSA-N	328.372	1.948	50	40	EDGB	
O=C(Cc1c[nH]c2ccccc12)NNS(=O)(=O)c1cccs1	7383927	PKBWBGCBTBQMLE-UHFFFAOYSA-N	335.410	1.782	50	40	EDGB	
O=C(Cc1ccc(-n2cnnn2)cc1)N/N=C/c1ccc(F)s1	252500267	SQPZZIZFXDFZGF-LZYBPNLTSA-N	330.348	1.556	50	40	EDGB	
C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C=O)[C@@H](OC(=O)C(C)C)[C@@H](O)[C@@H]12	104193445	MWYCMNPDBWRCKB-ITJQQOPCSA-N	348.395	1.878	50	40	EDGB	
O=C(CBr)Nc1ccc(C(=O)N2CCOCC2)cc1	35605236	LLQGKGLYFKAUMZ-UHFFFAOYSA-N	327.178	1.492	50	40	EDGB	
O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccccc1	60512554	MEOOAXIYRJZYDI-ZDUSSCGKSA-N	341.342	1.640	50	40	EDGB	
Cc1nc(CSCCC(=O)NNC(=O)c2ccccn2)cs1	40069502	VSEPQRBCDAQVER-UHFFFAOYSA-N	336.442	1.931	50	40	EDGB	
CC(=O)Oc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1	113169	OPUCZGKPHRBNME-OXNWSPOFSA-N	340.335	1.902	50	40	EDGB	
CC[C@H](C)[C@@H](NC(N)=O)C(=O)NNC(=S)Nc1ccccc1C	5689409	OOLXUBLLOMQEIX-JOYOIKCWSA-N	337.449	1.396	50	40	EDGB	
O=C(NNC(=O)c1ccc(-c2ccccc2F)o1)C(=O)NC1CC1	8403013	MKHCGRIRXNQLPC-UHFFFAOYSA-N	331.303	1.125	50	40	EDGB	
Cc1cccc(O[C@@H](C)C(=O)NN[C@@H](C(N)=O)c2ccccc2)c1C	26222786	WPDVCUKLGZSHOW-WMLDXEAASA-N	341.411	1.918	50	40	EDGB	
O=C(NNC(=O)[C@@H]1CCCN1C(=O)c1cccs1)c1ccccn1	17329038	UJLGEZUTAKMEJR-LBPRGKRZSA-N	344.396	1.209	50	40	EDGB	
OCC[N@+]12CO[C@@H]3CCC[C@H](C[C@@H]1CI)[C@H]32	254311230	OMTYTCOKKOZNSI-SKENRDBWSA-N	338.209	1.528	50	40	EDGB	
CN(C)c1nc(N)nc(/C(C#N)=C/c2cnn(Cc3ccccc3)c2)n1	96794817	YXGSTPLNNKXQSI-OVCLIPMQSA-N	346.398	1.829	50	40	EDGB	
C/C(=N/NC(=O)CNC(=O)c1ccc2c(c1)OCO2)c1ccco1	13143184	KRGUWCOUESYEEL-ZDLGFXPLSA-N	329.312	1.279	50	40	EDGB	
COc1ccc(CC(=O)NCC(=O)N/N=C/c2ccc(C)o2)cc1	4086429	OUMKSZBSDOBJSQ-VXLYETTFSA-N	329.356	1.406	50	40	EDGB	
CC1(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)OCCO1	566116	WMMCQWQDGZMUOJ-OVCLIPMQSA-N	327.724	1.851	50	40	EDGB	
COCc1n[nH]c2c1[C@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2	5686989	PPGRDIIJTRQXQE-CYBMUJFWSA-N	326.312	1.503	50	40	EDGB	
Nc1ccc(C(=O)NN2C(=O)[C@@H](Cl)[C@@H]2c2ccccc2O)cc1	5581738	NADFAJBDQOIGEK-KBPBESRZSA-N	331.759	1.810	50	40	EDGB	
O=C(NNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCCCC1	4957250	AOIMLRPCRLYIQU-UHFFFAOYSA-N	327.362	1.485	50	40	EDGB	
O=C(CCc1ccccc1)NCC(=O)N/N=C/c1ccc(O)cc1O	4815329	DZHQBJYWFJKPNM-RGVLZGJSSA-N	341.367	1.297	50	40	EDGB	
CNC(=O)NNC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O	83881872	JRZQNCYJPCWFKK-OAHLLOKOSA-N	339.351	1.715	50	40	EDGB	
COc1ccc(N(CC(=O)NN=C(C)C)S(C)(=O)=O)cc1Cl	408786720	VBQWURNPCFZHQU-UHFFFAOYSA-N	347.824	1.627	50	40	EDGB	
Cc1noc(C)c1S(=O)(=O)NNC(=O)Cc1cc(F)cc(F)c1	71281867	OBNHTQJIOCWLLX-UHFFFAOYSA-N	345.327	1.122	50	40	EDGB	
CCS(=O)(=O)[C@@H](Br)[C@@H](O)c1cccc([N+](=O)[O-])c1	96519099	QUCRCEJGNVCEKA-VHSXEESVSA-N	338.179	1.784	50	40	EDGB	
COc1ccc(/C(C)=N/NC(=O)Cn2nc([N+](=O)[O-])cc2C)cc1	550543	DPLNAHOWXNOBPE-LFIBNONCSA-N	331.332	1.649	50	40	EDGB	
N#CC1=C(SCC(N)=O)NC(=O)[C@@H](C#N)[C@H]1c1ccccc1Cl	4078476	OPTLAPFEYXIVCZ-TVQRCGJNSA-N	346.799	1.647	50	40	EDGB	
N[C@@H](Cc1ccccc1)C(=O)OOC(=O)[C@@H](N)Cc1ccccc1	100044282	KYWGAQACVJSJHR-HOTGVXAUSA-N	328.368	1.128	50	40	EDGB	
O=C(NNC(=O)c1ccc(F)cc1)NNC(=O)c1ccc(F)cc1	103045273	KSPRCQPDAQIXJZ-UHFFFAOYSA-N	334.282	1.254	50	40	EDGB	
O=C(NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2)c1cccc(Cl)c1	4651764	YNIJWSOZPHETTQ-PSJXJDHFSA-N	336.775	1.848	50	40	EDGB	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCOCC2)cc1[N+](=O)[O-]	23157210	HNXLGVHLXPRUEA-UKTHLTGXSA-N	331.328	1.759	50	40	EDGB	
COc1cccc(N2C(=O)C[C@H](NNC(=O)c3ccccc3)C2=O)c1	100118407	XIRPVUWHMXWKJZ-HNNXBMFYSA-N	339.351	1.262	50	40	EDGB	
NC(=O)N/N=C1/CC[C@H](OC(=O)c2ccccc2)C[C@H]1CC(=O)O	104226191	MICMAEWJZRQTPB-RJUWSTHFSA-N	333.344	1.511	50	40	EDGB	
Cc1nn(-c2ccccc2)c(C)c1/C=N\NC(=O)CN1CCOCC1	408996256	CSJPAYGLTRTSSO-UNOMPAQXSA-N	341.415	1.271	50	40	EDGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)c(OC)c1	408803965	BHBDKLQATIHHSY-ZTFCMROMSA-N	331.372	1.381	50	40	EDGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCNCC1)[C@H](Br)C2=O	85385658	MMPGHLULZXDWJQ-KMUNFCNLSA-N	343.265	1.577	50	40	EDGB	
COc1cc(/C=N/NC(=O)c2ccc(CN)cc2)cc(OC)c1OC	3321810	MBNOGPGLTHGIFW-RGVLZGJSSA-N	343.383	1.935	50	40	EDGB	
COCc1n[nH]c2c1[C@]1(C(=O)Nc3ccc(F)cc31)C(C#N)=C(N)O2	4040002	BRZYCLBTMNAYQE-MRXNPFEDSA-N	341.302	1.020	50	40	EDGB	
O=C(NNC(=O)c1cc(-c2ccco2)on1)c1cccc([N+](=O)[O-])c1	14084357	ICNLQOQBLFGFHK-UHFFFAOYSA-N	342.267	1.918	50	40	EDGB	
CCOC(=O)NNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O	9388523	CHFWBUOGHAVAGY-SNVBAGLBSA-N	343.792	1.920	50	40	EDGB	
Cc1cc(S(=O)(=O)NNC(=O)C2CCCC2)c([N+](=O)[O-])s1	583651427	MYIFMJTUPWLDRO-UHFFFAOYSA-N	333.391	1.464	50	40	EDGB	
CCCCOC(=O)n1c(B(O)O)cc2cc(Br)ccc21	169864545	NJFDCPRRDIHEIS-UHFFFAOYSA-N	339.982	1.868	50	40	EDGB	
O=C(CC(=O)NC1CCCCC1)N/N=C/c1cccc([N+](=O)[O-])c1	5569029	GMYAURRGXAZQIK-GZTJUZNOSA-N	332.360	1.884	50	40	EDGB	
COc1ccc(OCC(=O)N/N=C/c2ccccc2C(=O)O)cc1	497031	WYRPJRPSCDGVBS-VCHYOVAHSA-N	328.324	1.923	50	40	EDGB	
CN(C)CC(=O)NNC(=O)Nc1cc(C(F)(F)F)ccc1N(C)C	95942392	OGLAJEKCLZHKPC-UHFFFAOYSA-N	347.341	1.486	50	40	EDGB	
Cc1c(C(=O)N/N=C\c2ccco2)nn(-c2ccccc2)c(=O)c1C#N	409059607	RAGMMACMSPSEBJ-JAIQZWGSSA-N	347.334	1.770	50	40	EDGB	
O=C1[C@@H](Br)[C@H]2[C@@H]3C[C@H]4[C@@H](C(=O)[C@H](Br)[C@@H]24)[C@@H]13	169795878	ASRUXQHQIUKJHH-QROPFBLUSA-N	334.007	1.793	50	40	EDGB	
COc1ccc([C@@H]2C(C#N)(C#N)[C@@]2(C#N)C(N)=C(C#N)C#N)cc1OC	14944933	QGKWENUGZHOGNP-CRAIPNDOSA-N	344.334	1.605	50	40	EDGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=N/Nc1ccc(Cl)c(C(=O)O)c1	101122144	CIMJNGVOHHIBEL-XDHOZWIPSA-N	346.730	1.645	50	40	EDGB	
CC1=C(C#N)C(=O)N(CCCO)C(=O)/C1=N/c1ccc(N(C)C)cc1	100432378	WZQKAYDNQHZEQS-CAPFRKAQSA-N	340.383	1.416	50	40	EDGB	
C/C(N)=C(\C#N)C(=O)CSc1nnnn1-c1ccc(Cl)cc1	104700907	GFKXSCSDSJBUAO-FLIBITNWSA-N	334.792	1.733	50	40	EDGB	
CCc1sc(C(=O)NNC(=O)CN2C[C@H](C)O[C@@H](C)C2)cc1C	48287841	RPRFKICROCXOQV-RYUDHWBXSA-N	339.461	1.489	50	40	EDGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(C)o2)c1C#N	195446	JYJMGZRANCEVTR-UFWORHAWSA-N	342.355	1.839	50	40	EDGB	
CCCCC1([C@@H](CBr)OCC)C(=O)NC(=O)NC1=O	5523731	XTUYPTMXCIUKEZ-MRVPVSSYSA-N	335.198	1.329	50	40	EDGB	
CCOc1cc(/C=N/NC(=O)c2nonc2N)cc(Cl)c1O	5718468	KOMVKYDMJIHOGC-PJQLUOCWSA-N	325.712	1.173	50	40	EDGB	
NNC(=O)Cn1c2c(sc1=O)[C@H]1c3ccccc3OC[C@@H]1CS2	15087895	BNVUSVIINPEGSJ-PRHODGIISA-N	349.437	1.146	50	40	EDGB	
O=C(S[C@H]1CS(=O)(=O)C[C@@H]1Cl)c1ccccc1[N+](=O)[O-]	16789885	VMALSXBURDSOGJ-WPRPVWTQSA-N	335.790	1.873	50	40	EDGB	
C[C@H](NC(=O)C(=O)N/N=C/c1ccc2c(c1)OCO2)c1ccccc1	3009185	PFJDXZLWNMPJAH-NJDFMEINSA-N	339.351	1.743	50	40	EDGB	
CC(=O)N1CCC2(CC1)C(C#N)=C(N)Oc1n[nH]c(C(F)(F)F)c12	6498787	XBLZYRVVFBVFSY-UHFFFAOYSA-N	341.293	1.395	50	40	EDGB	
O=C(NNC(=O)[C@H]1CCCC[C@@H]1C(=O)O)c1ccc2c(c1)OCO2	4651688	PBEROEOSOCWTCU-QWRGUYRKSA-N	334.328	1.067	50	40	EDGB	
COc1cc(/C=C(/C#N)C(=O)N2CCOCC2)ccc1OCC#N	33756576	XJEUIDKVBDYLJO-UVTDQMKNSA-N	327.340	1.363	50	40	EDGB	
CC(=O)NNc1cc(C)nc(NS(=O)(=O)c2ccc(C)cc2)n1	270796	MMFSDDWIPHPLDU-UHFFFAOYSA-N	335.389	1.357	50	40	EDGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)Nc1cccc(C)c12	12412694	SLFQZXLNJFPHPS-GOSISDBHSA-N	339.351	1.746	50	40	EDGB	
O=C(CCc1ccccc1O)NNC(=O)c1ccc2c(c1)OCO2	14021132	OAAFFJZAPXLMED-UHFFFAOYSA-N	328.324	1.515	50	40	EDGB	
COc1nn(CCC(=O)N/N=C/c2ccc(F)s2)cc1[N+](=O)[O-]	252493162	NAPMNKLWEWLBIS-MKMNVTDBSA-N	341.324	1.541	50	40	EDGB	
COc1ccc(/C=N/NC(=O)C(=O)N2CCCCCC2)cc1OC	59459705	AXOYUNYKNXXXFC-LDADJPATSA-N	333.388	1.557	50	40	EDGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc2c(c1)oc(=O)n2C	16693942	KRQLAWRMJDJTER-WQLSENKSSA-N	338.323	1.266	50	40	EDGB	
O=C(NC(=S)NNC(=O)c1ccc(O)cc1O)c1cccs1	18194384	CGFYVZNAWWJSQP-UHFFFAOYSA-N	337.382	1.109	50	40	EDGB	
COC(=O)[C@@H]1C(=O)NC(SC)=C(C#N)[C@H]1c1ccc(OC)cc1	12276349	HIGPVJUWMIUVTB-OLZOCXBDSA-N	332.381	1.796	50	40	EDGB	
O=S1(=O)C[C@@H](Cl)[C@H](NC(=S)OC(CCl)CCl)C1	59568403	KPERORHPYMECFR-RNFRBKRXSA-N	340.681	1.128	50	40	EDGB	
O=C(NNC(=O)[C@@H]1CCCC[C@H]1C(=O)O)c1ccc2c(c1)OCO2	4651690	PBEROEOSOCWTCU-GHMZBOCLSA-N	334.328	1.067	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccco1	7708946	VGTCDEHQEJPTBX-UHFFFAOYSA-N	349.368	1.030	50	40	EDGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1O)c1cc([N+](=O)[O-])ccc1O	83328844	MQUVCJMDRGNJEF-CHHVJCJISA-N	346.255	1.678	50	40	EDGB	
CCOC(=O)c1cnn2ccc(NC(=O)NNC(=O)C3CC3)cc12	1616033845	DJANBGAWEZQHIA-UHFFFAOYSA-N	331.332	1.074	50	40	EDGB	
C#CCN1C(=O)[C@]2(C(C#N)=C(N)OC(C)=C2C(=O)OC)c2ccccc21	553464	PQGWJQRLYULDIO-IBGZPJMESA-N	349.346	1.075	50	40	EDGB	
CCc1nnsc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	45824648	OHKMZXMEPPFUNE-MRVPVSSYSA-N	338.364	1.468	50	40	EDGB	
COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2cccc(O)c2)c1	4499510	SCTXGADYROPBTM-VCHYOVAHSA-N	343.339	1.498	50	40	EDGB	
CCCCOc1ccc(/C=N/NC(=O)C(=O)NCCCOC)cc1	4616241	OKGRPDCJGOBEEL-CPNJWEJPSA-N	335.404	1.468	50	40	EDGB	
COc1cccc(C(=O)N/N=C2/NC[C@@H](CBr)S2)c1	5729849	ISCQKAUPUCVMHB-SNVBAGLBSA-N	344.234	1.796	50	40	EDGB	
O=C(Cc1ccccc1)NNC(=S)NC(=O)c1ccccc1F	8562119	ZQTQAYZBXUWUBY-UHFFFAOYSA-N	331.372	1.704	50	40	EDGB	
COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccc(F)cc2)c1	3067269	AZRGSCOGTODTLQ-VXLYETTFSA-N	345.330	1.932	50	40	EDGB	
COC(=O)c1cn(CC(=O)NNC(=O)c2ccco2)c2ccccc12	26812115	SZFGQNSGKAKHDU-UHFFFAOYSA-N	341.323	1.482	50	40	EDGB	
O=C1C(I)=CN=C[C@H]1I	100187971	BLYANQJUJACEBQ-GSVOUGTGSA-N	346.893	1.720	50	40	EDGB	
O=C(CCN1C(=O)c2ccccc2C1=O)NNC(=O)c1cccs1	3313993	HMPNYVFJIWEPBL-UHFFFAOYSA-N	343.364	1.195	50	40	EDGB	
COc1c(O)cc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1[N+](=O)[O-]	20528744	KIHUGMORIVOFSK-UHFFFAOYSA-N	345.340	1.527	50	40	EDGB	
Cc1cc(C)nc(SCC(=O)NNC(=O)c2cc(C)oc2C)n1	6785657	DZIDSEZBVSGHBB-UHFFFAOYSA-N	334.401	1.857	50	40	EDGB	
O=C(O)CCCC(=O)NNC(=O)c1ccc(NC(=O)C2CC2)cc1	12137479	QYCOLDIIYFNVBZ-UHFFFAOYSA-N	333.344	1.051	50	40	EDGB	
Cc1ccc(S(=O)(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1	309098	NIBQRUYVQIQXHJ-OAHLLOKOSA-N	348.380	1.145	50	40	EDGB	
N#Cc1ccccc1-c1nnn(CC(=O)N/N=C/c2ccccc2O)n1	805807	ZNWPJVVXUITYIE-VXLYETTFSA-N	347.338	1.068	50	40	EDGB	
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CCl)cc2)C[C@@H](C)O1	4219034	FFPDNVPIQHMRJP-GHMZBOCLSA-N	346.836	1.662	50	40	EDGB	
N#C/C(=C\c1ccc(OCC(N)=O)cc1)C(=O)NC1CCCCC1	408790967	ZSJRFGIVRYHSFL-GXDHUFHOSA-N	327.384	1.907	50	40	EDGB	
CCC[C@@H]1C2=C(C(=O)OC2=O)[C@H]2[C@H]1C1=C(C[C@H]2CC)C(=O)OC1=O	73258406	ISPXPOYARSGEDK-MKHNBGRSSA-N	330.336	1.839	50	40	EDGB	
C=C1C(=O)O[C@@H]2/C=C(/C)CC/C=C(/C=O)[C@@H](OC(=O)C(C)C)[C@@H](O)[C@@H]12	13338035	MWYCMNPDBWRCKB-YTASJZCESA-N	348.395	1.878	50	40	EDGB	
COc1ccc(O)c(/C=N/NC(=O)CNC(=O)c2cccc(F)c2)c1	3081743	BWSMLSGWRNTMBY-AWQFTUOYSA-N	345.330	1.420	50	40	EDGB	
CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2cccc(C)c2)cc1	134039	CDRXPGQZUFQLKW-UHFFFAOYSA-N	347.396	1.577	50	40	EDGB	
CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2cc(C)n[nH]2)c1O	32516036	UKQOICWFSXWJCZ-VIZOYTHASA-N	333.304	1.495	50	40	EDGB	
CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)COC(=O)[C@@H]1COCCO1)C2	102163122	BXSVZWMMBPZVFV-ACUQEYBQSA-N	338.404	1.263	50	40	EDGB	
O=C(NNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1ccco1	32794900	MIGWABYBXSHXTF-JTQLQIEISA-N	347.758	1.747	50	40	EDGB	
O=C(O)COc1ccccc1/C=N/NC(=O)Cc1ccc(F)cc1	4950139	FIAUSDCCNBQZBH-VXLYETTFSA-N	330.315	1.982	50	40	EDGB	
Cc1ccccc1OCC(=O)NC(=S)NNC(=O)c1cccs1	6861179	LHBPVIKKAXXZRA-UHFFFAOYSA-N	349.437	1.771	50	40	EDGB	
CCOC(=O)NNC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O	13879015	AQXTYYASUILMSH-UHFFFAOYSA-N	349.416	1.432	50	40	EDGB	
CCOc1ccc(Cl)cc1/C=N/NC(=O)Cc1nnc(N)s1	510474	NWUJWLBDZZDCMX-FRKPEAEDSA-N	339.808	1.865	50	40	EDGB	
O=C(O)[C@H]1C[C@H](Br)[C@H](Br)C[C@H]1C(=O)O	5103426	XXADRWGJEKUZPR-FBXFSONDSA-N	329.972	1.709	50	40	EDGB	
O=C(CCC(=O)OCCBr)OCCBr	1682259	DSOPUQZZMOTWDF-UHFFFAOYSA-N	331.988	1.643	50	40	EDGB	
Cc1cc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)c2ccccc2n1	25042870	QUYVHRRZSUSBAT-ZDUSSCGKSA-N	347.440	1.649	50	40	EDGB	
CC(=O)NNc1nc(-c2ccc(NS(C)(=O)=O)cc2)c(C)s1	8133521	JZMXWJSEQDIOJJ-UHFFFAOYSA-N	340.430	1.953	50	40	EDGB	
O=C(NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)c1ccccc1	12812670	PSFRLZJWBQBAJA-UHFFFAOYSA-N	348.362	1.418	50	40	EDGB	
COCCCNC(=O)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1	4838948	OCTJJWOEZSMWNK-CAOOACKPSA-N	332.187	1.596	50	40	EDGB	
Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)NN)cc2)c1	6553288	SACMHEKGASIMCX-UHFFFAOYSA-N	349.412	1.473	50	40	EDGB	
C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)c1n[nH]c2ccccc12	7738574	BHBYKQWRMNFMRI-NSHDSACASA-N	349.350	1.663	50	40	EDGB	
CN(c1ccc(C(=O)N/N=C/c2ccccc2F)cc1)S(C)(=O)=O	409113078	DLQXOOMPAVXDQS-WOJGMQOQSA-N	349.387	1.985	50	40	EDGB	
COc1ccc(/C=N/NC(=O)c2nonc2N)cc1Br	408720691	WRVHWURBPUJBSE-LHHJGKSTSA-N	340.137	1.187	50	40	EDGB	
Cc1nnc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)o1	7604829	YKCICOUKWZSMQD-UHFFFAOYSA-N	326.765	1.585	50	40	EDGB	
C=C1C(=O)O[C@@H]2C/C(C=O)=C\[C@H]3O[C@@H]3/C(COC(=O)C(C)C)=C/C[C@@H]12	104095983	DKEPXXSPYUPBQB-MTPVPUKHSA-N	346.379	1.896	50	40	EDGB	
COc1ccc(OCC(=O)NNc2oc(C)cc(=O)c2C(C)=O)cc1	4614588	QNFXGZBEBZLMFD-UHFFFAOYSA-N	346.339	1.682	50	40	EDGB	
CCCOc1ccc(C(=O)NNC(=O)c2cccnc2O)cc1OC	12697411	NXRAJZVKTNLYQX-UHFFFAOYSA-N	345.355	1.659	50	40	EDGB	
Cc1ccc(/C=N/NC(=O)[C@H](c2ccncc2)N2CCOCC2)cc1	20057214	YCJVMDHBCIKFOP-SXZORUHJSA-N	338.411	1.914	50	40	EDGB	
N#CC(C(=O)COC(=O)C1=COCCO1)=C1Nc2ccccc2N1	3281332	SRLXVSZBQCFCRB-UHFFFAOYSA-N	327.296	1.260	50	40	EDGB	
CN(c1ccc(C(=O)N/N=C/c2ccncc2)cc1)S(C)(=O)=O	409123954	GDDYOSLNJPNMLI-GZTJUZNOSA-N	332.385	1.241	50	40	EDGB	
CCOc1cccc(C(=O)NNC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)c1	4651720	PELCXBGISVDAOO-PKIAMQTDSA-N	344.367	1.369	50	40	EDGB	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccc(=O)n(C)c1	195749	BYIKUBSLLAWFSP-GIJQJNRQSA-N	345.355	1.175	50	40	EDGB	
N#CC1=C(N)Oc2nc[nH]c(=O)c2[C@H]1c1ccc(Br)cc1	5530982	VNYLDEADZBDUPB-JTQLQIEISA-N	345.156	1.751	50	40	EDGB	
C/C(=N\NC(=O)CNS(=O)(=O)c1ccccc1)c1cccc(N)c1	16102262	YGUIYCNQFODIRD-XDHOZWIPSA-N	346.412	1.088	50	40	EDGB	
O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N\NC(=O)c1ccc(F)cc1	6636065	FGMMXRGRLFFTKQ-UHFFFAOYSA-N	328.259	1.820	50	40	EDGB	
O=C1N(CN2CCOCC2)c2ccccc2[C@]12OC[C@H](CCl)O2	19831245	MRAGSXXFMHQZGC-BLLLJJGKSA-N	338.791	1.130	50	40	EDGB	
CC(=O)NCCc1ccc(C(=O)NNC(=O)c2ccccc2O)cc1	9950468	BVKXIILPRKHYFV-UHFFFAOYSA-N	341.367	1.146	50	40	EDGB	
Nc1nonc1C(=O)N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	33908187	GCWVEUZMILQIMJ-APSNUPSMSA-N	342.271	1.584	50	40	EDGB	
Cc1c(/C=N/NC(=O)c2ccc(Br)cc2O)cnn1C	126296	CMHDXUQUSLKVGN-GIDUJCDVSA-N	337.177	1.961	50	40	EDGB	
O=C(O)COc1ccccc1/C=N\NC(=O)c1n[nH]c2c1CCCC2	5009431	JMIIHEWYCOMVMO-NVMNQCDNSA-N	342.355	1.516	50	40	EDGB	
C[C@H]1CN(c2nc3ccccn3c(=O)c2C=C(C#N)C#N)C[C@H](C)O1	551540	PNIVUSLVCOKLPP-STQMWFEESA-N	335.367	1.739	50	40	EDGB	
O=C1OC(=O)[C@]2(Br)[C@@H]3C=C[C@H](CC3)[C@@]12Br	104184013	ZUVPNXWECWMJLW-SXILTZBTSA-N	335.979	1.933	50	40	EDGB	
CCOc1ccccc1/C=N/NC(=O)C(=O)NCc1ccncc1	58884566	MJUQBENSLJFGHJ-UDWIEESQSA-N	326.356	1.247	50	40	EDGB	
CC1(C)[C@]2(C)CC[C@]1(C(=O)N1CCNCC1)[C@H](Br)C2=O	103697675	MMPGHLULZXDWJQ-VCTAVGKDSA-N	343.265	1.577	50	40	EDGB	
CN(C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CN1CCCCC1	408991342	NLRBMBBSQLBMIF-GZTJUZNOSA-N	333.392	1.597	50	40	EDGB	
COC(=O)[C@@H]1/C(=N/NC(=O)CC#N)C[C@](C)(O)C[C@@H]1c1ccccc1	100248865	KJYWBBYLFGJCMQ-HXHZTJGRSA-N	343.383	1.490	50	40	EDGB	
C#CCN1C(=O)[C@@]2(C(C#N)=C(N)OC3=C2C(=O)CCC3)c2ccccc21	89428	OXRNHPCAYKVYNC-HXUWFJFHSA-N	345.358	1.635	50	40	EDGB	
Cc1ccccc1OCC(=O)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O	357358	FQJWJPZPMYPOQV-OLZOCXBDSA-N	334.372	1.412	50	40	EDGB	
Nc1nnc(CC(=O)N/N=C\C=C\c2cccc([N+](=O)[O-])c2)s1	4852981	SYBFWZUGYFCJFN-RPGBBNPCSA-N	332.345	1.386	50	40	EDGB	
CC(=O)NNC(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S	2288492	TVBCJTCSVPPGAI-XFFZJAGNSA-N	335.410	1.055	50	40	EDGB	
CC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)s1	408732274	TVDWSPUEWWJKAO-VGOFMYFVSA-N	348.344	1.098	50	40	EDGB	
COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)I	75629716	DJTBBPUINKPGDR-RQJHMYQMSA-N	343.161	1.876	50	40	EDGB	
NNC(=O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1	139595447	FEPPNGRDQGNWLN-UHFFFAOYSA-N	337.376	1.007	50	40	EDGB	
CCOC(=O)[C@@H]1CC[C@H](C)N(S(=O)(=O)CBr)[C@@H]1C	585114702	TZXLQEPNWWLZFU-IVZWLZJFSA-N	342.255	1.721	50	40	EDGB	
Cc1ccccc1OCC(=O)NNC(=O)[C@H]1COc2ccccc2O1	5512895	RIPWEIFHDJUNQN-MRXNPFEDSA-N	342.351	1.361	50	40	EDGB	
COc1cccc(OC)c1C(=O)NNS(=O)(=O)c1ccccc1	5746088	GXGCZPVRDWZMFN-UHFFFAOYSA-N	336.369	1.327	50	40	EDGB	
Cc1nnc(NNC(=O)Cc2csc(-c3ccccc3)n2)nc1O	23309430	AGFPUUMKELWFTF-UHFFFAOYSA-N	342.384	1.695	50	40	EDGB	
COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1cccc(O)c1	59433972	QNSRPXJBDDSOEL-VCHYOVAHSA-N	327.340	1.798	50	40	EDGB	
CON(C)C(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C	58244611	OOZVCOXBYNCXSF-UHFFFAOYSA-N	328.372	1.677	50	40	EDGB	
COc1ccc(S(=O)(=O)NNC(=O)c2ccc(Cl)cc2)cc1	4543446	VATUULYDQIXFMP-UHFFFAOYSA-N	340.788	1.972	50	40	EDGB	
N#CC1=CS/C(=C2\C(=O)NN(c3ccccc3)C2=O)S[C@H]1N	24718182	VTTXBPRRXGETTO-UXEDPAHQSA-N	330.394	1.448	50	40	EDGB	
CN(C)[C@@](C)(C(=O)OC(=O)OCc1ccccc1)P(=O)(O)O	309664878	ORYUDASWMACSKV-CYBMUJFWSA-N	331.261	1.322	50	40	EDGB	
C=CCn1c(C)c(/C=N\NC(=O)CN2CCOCC2)c2ccccc21	408997315	NQJVBDVEEUEOES-MOSHPQCFSA-N	340.427	1.918	50	40	EDGB	
C/C(=C\c1ccccc1)C(=O)NN/C(C)=C1\C(=O)NC(=O)SC1=O	95101237	BWJHAIXYJZSSKP-CDKJVOIVSA-N	345.380	1.494	50	40	EDGB	
CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N/Nc1ccc(C)c(C)c1	101106509	NJKHLBREKQRFLT-HMMYKYKNSA-N	326.356	1.273	50	40	EDGB	
CC(=O)Nc1nnc(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)s1	1958362	LBYQPDKMYRBEPQ-VGOFMYFVSA-N	348.344	1.098	50	40	EDGB	
CCOC(=O)c1ccc(NC(=S)NNC(=O)c2ccncc2)cc1	1405697	HYUQYZFLEVHHEW-UHFFFAOYSA-N	344.396	1.890	50	40	EDGB	
COc1cc2c(cc1OC)N(C1CSC1)C(=O)/C2=N\NC(C)=O	223735974	KNQXFGORYALWTD-VKAVYKQESA-N	335.385	1.006	50	40	EDGB	
N#C/C(=C/c1ccco1)C(=O)NS(=O)(=O)c1cncc(Cl)c1	584908240	XZXNMIINOQLTKB-WTKPLQERSA-N	337.744	1.740	50	40	EDGB	
CC1(CC(=O)N/N=C/c2cccc(OC3CSC3)c2)OCCO1	233720	MYROMYIRNCVSQH-RQZCQDPDSA-N	336.413	1.784	50	40	EDGB	
O=C(NNS(=O)(=O)c1cccc(Br)c1)c1ccco1	7519730	PIQZRIABFDFKDA-UHFFFAOYSA-N	345.174	1.665	50	40	EDGB	
O=C(N/N=C\c1cc(O)ccc1[N+](=O)[O-])[C@@H]1COc2ccccc2O1	36113035	WMIRAXKQMGOZNU-QTISIFFUSA-N	343.295	1.591	50	40	EDGB	
COc1cc(OC)cc(C(=O)NNC(=O)Cc2ccccc2F)c1	2656002	ABZZBBAPZDXZFS-UHFFFAOYSA-N	332.331	1.847	50	40	EDGB	
CCCCn1c(N)c(N(CCC(C)C)C(=O)CCl)c(=O)[nH]c1=O	3345032	NLVMKGTYZJYPJO-UHFFFAOYSA-N	344.843	1.537	50	40	EDGB	
C[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc2nccnc2c1	5069058	AOIBETNLCKOXAN-KKBVUKDESA-N	343.387	1.993	50	40	EDGB	
CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NNC(=O)c1ccccc1C	65564563	JYRFCYSOYDQMKC-FZMZJTMJSA-N	349.456	1.704	50	40	EDGB	
CC(=O)N[C@H](C(=O)NNC(=O)c1cn(C)c2ccccc12)C(C)C	8145065	CIRYJFGNEDTJOF-HNNXBMFYSA-N	330.388	1.100	50	40	EDGB	
CCN1CC=C2[C@@H](C1)[C@H](c1ccncc1)C(C#N)=C(N)C2(C#N)C#N	35419849	HJQSNRQIRXLQIX-NVXWUHKLSA-N	330.395	1.827	50	40	EDGB	
Cc1nn(C)c(F)c1/C=N/NC(=O)Cn1nc(C(F)(F)F)cc1C	252500021	SMADRXAXSCDOKQ-BLLMUTORSA-N	346.288	1.542	50	40	EDGB	
CCCCC/C(C[C@@H]1NC(=S)NC1=O)=N/NC(=O)c1ccncc1	17300245	XCTKVSMFNAGWLC-RQZLXBNYSA-N	347.444	1.511	50	40	EDGB	
Cn1nc(C(=O)NNC(=O)c2cccs2)c2ccccc2c1=O	10027417	SIHRQLCLTJUTPA-UHFFFAOYSA-N	328.353	1.070	50	40	EDGB	
COc1ccc(N2C(=O)C[C@@H](NNC(=O)OC(C)(C)C)C2=O)cc1	18190989	IMLJRRUGGRNMSL-GFCCVEGCSA-N	335.360	1.356	50	40	EDGB	
Cc1cc(C)n2nc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)nc2n1	195970	DDSMQTLCFGFUSJ-LZYBPNLTSA-N	339.315	1.413	50	40	EDGB	
COc1ccc(/C=N/NC(=O)c2ccncc2)c(C(=O)O)c1OC	1855	HSYFNANHKYNZNI-GIJQJNRQSA-N	329.312	1.561	50	40	EDGB	in-man
CN(C)c1cccc(C(=O)N/N=C/c2ccc(OCC(N)=O)cc2)c1	561592	QLCUSNQWOFNWHY-RGVLZGJSSA-N	340.383	1.381	50	40	EDGB	
Cn1nc(C(=O)NNC(=O)/C=C/c2ccccc2)c2ccccc2c1=O	15940106	INYQVFCAWMYRSS-VAWYXSNFSA-N	348.362	1.408	50	40	EDGB	
CCSc1ncc(Cl)c(C(=O)NNC(=O)c2ccncc2)n1	9576152	XBJMVDNDPFIFKP-UHFFFAOYSA-N	337.792	1.712	50	40	EDGB	
O=C(NNC(=O)c1cccnc1)c1ccc(SCCCO)cc1	71893234	XASGGOLTXMQMJD-UHFFFAOYSA-N	331.397	1.631	50	40	EDGB	
CC(C)Oc1cncc(S(=O)(=O)NNC(=O)CC(C)(C)C)c1	583651927	WHPWPVMZDJQDDM-UHFFFAOYSA-N	329.422	1.615	50	40	EDGB	
CN(C)c1cccc(C(=O)N/N=C/c2ccc(N(C)CCO)cc2)c1	24036766	HXTVVOMAAMITMC-XSFVSMFZSA-N	340.427	1.945	50	40	EDGB	
CCc1cc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cs1	102210897	LXNODHIEMFXRQV-VDUILEQBSA-N	334.397	1.594	50	40	EDGB	
CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccoc3)[C@@H]2C1	808889	ANSQRQZSXFLMMD-HZPDHXFCSA-N	333.351	1.551	50	40	EDGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc2c(c1)OCO2	59463268	LINKAMXRIZZDKP-FBCYGCLPSA-N	341.323	1.706	50	40	EDGB	
O=C(Cc1cn2ccsc2n1)N/N=C/c1ccc(O)c(O)c1O	12586962	GSTCQHFFMWNBGM-GIDUJCDVSA-N	332.341	1.205	50	40	EDGB	
Cn1cc(S(=O)(=O)NNC(=O)c2cc(Cl)cc(Cl)c2)cn1	71285859	GKCVPQHPIDKNGE-UHFFFAOYSA-N	349.199	1.350	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccccc1Cl)c1cc(Cl)c[nH]1	9578372	NAFFIUDKSHABOY-UHFFFAOYSA-N	334.184	1.945	50	40	EDGB	
CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)COC(=O)[C@@H]1CCC(=O)NC1)C2	102132905	NHZDXXQSPXXDLH-UWKIRJJVSA-N	349.431	1.374	50	40	EDGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(O)c(O)c1	3131893	JFKNJLYCNSDZSP-LZYBPNLTSA-N	331.284	1.535	50	40	EDGB	
Cc1cc(-c2noc(CCC(=O)NNC(=O)C3CC3)n2)ccc1F	57410199	CSNVPBXJWBQBTJ-UHFFFAOYSA-N	332.335	1.674	50	40	EDGB	
C[C@H]1Sc2ccc(C(=O)NNC(=O)c3ccco3)cc2NC1=O	6647629	JMZORZHDDOLWHL-MRVPVSSYSA-N	331.353	1.787	50	40	EDGB	
CCOc1ccc(S(=O)(=O)NNC(=O)c2cccs2)cc1	7519792	AJLCAOCWORMPJB-UHFFFAOYSA-N	326.399	1.770	50	40	EDGB	
C[C@H](C(=O)NNc1ncccn1)N1CCN(c2ccc(F)cc2)CC1	69618116	XUUBCPMGRFCLLN-CYBMUJFWSA-N	344.394	1.270	50	40	EDGB	
COc1ccc(OCC(=O)N/N=C\c2ccc(O)c([N+](=O)[O-])c2)cc1	38590978	IRUNGEOAKQJAFQ-MFOYZWKCSA-N	345.311	1.838	50	40	EDGB	
CC(=O)N/N=C(\S)N/C=C(/C#N)S(=O)(=O)c1ccc(C)cc1	33767034	TUWZOJKCBYJYLB-WQLSENKSSA-N	338.414	1.060	50	40	EDGB	
O=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1	5862472	DBOLTYXZGNTKEY-UHFFFAOYSA-N	329.268	1.398	50	40	EDGB	
O=C(NCc1ccc2c(c1)OCO2)C(=O)N/N=C/c1ccc(F)cc1	3009260	RWJABXRDXDSUJC-AWQFTUOYSA-N	343.314	1.321	50	40	EDGB	
COc1ccccc1NCC(=O)N/N=C\c1ccc2c(c1)OCO2	33317465	QYTDVZMTRNMEKI-OCKHKDLRSA-N	327.340	1.986	50	40	EDGB	
COc1ccccc1C(=O)NC(=S)NNC(=O)c1cccs1	6928242	BFVUPVCGCKVQLA-UHFFFAOYSA-N	335.410	1.706	50	40	EDGB	
O=C(NNC(=S)NC(=O)c1ccc(Cl)cc1)c1cccnc1	2368266	NRGBAEGOAUMRQB-UHFFFAOYSA-N	334.788	1.684	50	40	EDGB	
Cc1ccc(NC(=O)[C@H](C)Cl)cc1S(=O)(=O)N1CCOCC1	3887318	ZEGMZAATHVAXFR-NSHDSACASA-N	346.836	1.582	50	40	EDGB	
CC1=C(C#N)[C@](NC(=O)CCc2ccccc2)(C(F)(F)F)C(=O)N1	4653805	XPYHEDFATANRRD-OAHLLOKOSA-N	337.301	1.964	50	40	EDGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)c(O)c(OC)c1	409248969	HYEKIZDXWWTGRY-XUNMKLQISA-N	327.768	1.419	50	40	EDGB	
O=C(Nc1ccc(F)cc1)[C@@H](Cl)N1CCN(c2ncccn2)CC1	34657301	OZIIWZDYLYWUIA-AWEZNQCLSA-N	349.797	1.941	50	40	EDGB	
C/C(NNC(=O)[C@@H](C)Cc1ccccc1)=C1/C(=O)NC(=O)SC1=O	95101235	YREYWOUBTKUYOJ-QTLFRQQHSA-N	347.396	1.270	50	40	EDGB	
O=C(NNC(=O)c1cncn1-c1ccccc1)c1cc(C2CC2)on1	26051002	SEEINWWSZDUBLA-UHFFFAOYSA-N	337.339	1.813	50	40	EDGB	
COc1ccc(OCC(=O)NNC(=S)NCc2ccccc2)cc1	15873528	RXFIILVTUCLGNY-UHFFFAOYSA-N	345.424	1.770	50	40	EDGB	
Cc1ccccc1C(=O)NCC(=O)NNC(=O)c1cccc(Cl)c1	3564035	QPQWOBJIVCJBAW-UHFFFAOYSA-N	345.786	1.839	50	40	EDGB	
O=C(NCCc1ccccc1)C(=O)N/N=C/c1ccccc1C(=O)O	59444316	HUATYNZPMDRLLC-UDWIEESQSA-N	339.351	1.194	50	40	EDGB	
Cc1cc(C)nc(NNC(=O)Cc2ccc(N3CCCC3=O)cc2)n1	11334485	SWZKCBVVTFAESZ-UHFFFAOYSA-N	339.399	1.906	50	40	EDGB	
O=C(NNC(=S)NCc1ccccc1)c1cccc([N+](=O)[O-])c1	13544289	NWNIWZVRAFECSZ-UHFFFAOYSA-N	330.369	1.904	50	40	EDGB	
CCOC(=O)c1ccc(C[C@@H]2S/C(=C(/C#N)C(C)=O)NC2=O)cc1	16683659	BVUZYCCNQGLQCW-DSDLTIFZSA-N	344.392	1.962	50	40	EDGB	
O=C(Cc1ccc(Cl)cc1)NNC(=O)Cc1cn2ccccc2n1	32083287	FENJGJLYHQJSKL-UHFFFAOYSA-N	342.786	1.920	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccc(F)c(F)c1F)c1ccccc1O	7415977	RCGAAKZDNZAFRU-UHFFFAOYSA-N	346.286	1.433	50	40	EDGB	
CCc1nnc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)o1	7604835	OUTXXFCMGQCMFX-UHFFFAOYSA-N	340.792	1.839	50	40	EDGB	
COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)cc1	9704059	NAWXYQQVXJAOGM-AWEZNQCLSA-N	337.335	1.688	50	40	EDGB	
COc1ccccc1CC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	5704224	DVBNEJNPBRQLBR-GFCCVEGCSA-N	346.358	1.992	50	40	EDGB	
O=C(Cc1cccs1)NN[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O	1441530	YMMMJIVODKIWMN-ZDUSSCGKSA-N	347.371	1.383	50	40	EDGB	
Cc1csc(=O)n1CCCC(=O)NNC(=O)c1cccc(O)c1	14250008	KZXPPGIYEMRPOQ-UHFFFAOYSA-N	335.385	1.165	50	40	EDGB	
CCOc1c(CNC(=O)CCl)cc(N)cc1CNC(=O)CCl	1668102	IJWNHLWTDKNWFK-UHFFFAOYSA-N	348.230	1.378	50	40	EDGB	
CC/C(=N\NC(=O)CN1CCOCC1)c1ccc2c(c1)OCCO2	20518162	CYEXXXXLMNQRSV-NBVRZTHBSA-N	333.388	1.020	50	40	EDGB	
O=C(O)COc1ccc(/C=N/NC(=O)c2ccncc2)cc1Cl	59302110	PMWVPSSOIPWNGB-QGMBQPNBSA-N	333.731	1.962	50	40	EDGB	
COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccccc2C)c1C	8750412	JHCRIUISCRGJRK-UHFFFAOYSA-N	329.356	1.801	50	40	EDGB	
CCOC(=O)Cc1[nH]nc2c1[C@H](c1cccs1)C(C#N)=C(N)O2	499639	DNJPBMJAYYTJTK-LBPRGKRZSA-N	330.369	1.795	50	40	EDGB	
NC(=O)Oc1cc(OC(N)=O)cc(N(CCCl)CCCl)c1	1765947	YGGDABPJGGNPPC-UHFFFAOYSA-N	336.175	1.886	50	40	EDGB	
O=C1[C@@H](Br)[C@H]2[C@@H]3C[C@@H]4[C@H](C(=O)[C@H](Br)[C@@H]24)[C@@H]13	100012118	ASRUXQHQIUKJHH-YDFITGAWSA-N	334.007	1.793	50	40	EDGB	
CCn1nc(C(=O)NNC(=O)c2ccccc2)c2ccccc2c1=O	3557585	VNYRDNIEPYCDSL-UHFFFAOYSA-N	336.351	1.491	50	40	EDGB	
NC1=N/C(=N\NC(=O)COc2ccccc2[N+](=O)[O-])c2ccccc21	5731637	RYBUESORUAHZAL-UHFFFAOYSA-N	339.311	1.171	50	40	EDGB	
CS(=O)(=O)[C@@H](I)C(=O)c1ccc(F)cc1	96517922	XJDDLEUXQSGEHK-SECBINFHSA-N	342.129	1.814	50	40	EDGB	
CN(C)c1nc(N)nc(/C(C#N)=C\c2cc(Cl)c3c(c2)OCO3)n1	48520980	WECUEJWOBVVLEW-OQFOIZHKSA-N	344.762	1.966	50	40	EDGB	
COc1ccnc(NNC(=O)C2(c3ccc(F)cc3)CCOCC2)n1	57206762	LHNUQLHNWJZZBA-UHFFFAOYSA-N	346.362	1.816	50	40	EDGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1O	8219913	RJQBHBXJSCYVRJ-GIJQJNRQSA-N	331.328	1.150	50	40	EDGB	
Cc1ccc([N+](=O)[O-])c(OCCC(=O)NNC(=O)c2ccccn2)c1	31550793	IINMLTGVSZRPBZ-UHFFFAOYSA-N	344.327	1.528	50	40	EDGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/c1ccco1	100959009	RLIKEYUWGBTXJO-DELQEKLWSA-N	346.364	1.059	50	40	EDGB	
COc1cccc(N2C(=O)C[C@@H](NNC(=O)c3ccccc3)C2=O)c1	549147	XIRPVUWHMXWKJZ-OAHLLOKOSA-N	339.351	1.262	50	40	EDGB	
Cc1cccc(OCC(=O)NNC(=O)[C@H]2CCCC[C@@H]2C(=O)O)c1	357361	ARKJUCMLHXMJEY-KBPBESRZSA-N	334.372	1.412	50	40	EDGB	
Cc1cc(N2CCN(C(=O)/C(C#N)=C\c3ccco3)CC2)nc(C)n1	67313765	COMCJJHKTUBOKB-PTNGSMBKSA-N	337.383	1.942	50	40	EDGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)NCCOC)cc1	408799844	IISIQSQOMSJYJU-GXDHUFHOSA-N	332.356	1.298	50	40	EDGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C(=O)NC1CCCCCC1	409007558	XSRNXTJCCWUHNJ-GZTJUZNOSA-N	332.360	1.884	50	40	EDGB	
COC(=O)[C@@H]1CC12CCN(S(=O)(=O)CC(C)(C)CCl)CC2	583651125	FQPNDPHYQWJIFI-NSHDSACASA-N	337.869	1.856	50	40	EDGB	
COc1ccc(OCC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1	5360309	PKTJSRDTIHSUFA-GIJQJNRQSA-N	328.324	1.953	50	40	EDGB	
CC1(C)[C@]2(C)CC[C@]1(C(=O)N/N=C/c1ccc(O)cc1O)OC2=O	100260176	LTLOMSSHDSIDNZ-LBMABLTESA-N	332.356	1.670	50	40	EDGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\c1ccco1	13122588	RLIKEYUWGBTXJO-NUBYWOLOSA-N	346.364	1.059	50	40	EDGB	
O=C(Cc1cn2ccsc2n1)NNC(=O)c1ccc2c(c1)OCO2	9115429	NAAUFJNDQMPLJG-UHFFFAOYSA-N	344.352	1.128	50	40	EDGB	
CC(C)C(=O)NNC(=O)CNC(=O)c1ccc(Cl)cc1Cl	8771802	ZNKAGTGVUNOHTJ-UHFFFAOYSA-N	332.187	1.527	50	40	EDGB	
CCOC(=O)/C(=C\NNC(=O)c1ccncc1)C(=O)c1ccccc1	408894320	PTZKNDRLCGODNW-QINSGFPZSA-N	339.351	1.646	50	40	EDGB	
CCCc1ccc(N2C[C@@H](C(=O)NNC(=O)C(C)C)CC2=O)cc1	32674030	QNMPRSCVCKVERZ-AWEZNQCLSA-N	331.416	1.795	50	40	EDGB	
COc1ccc([C@H]2C(C#N)(C#N)[C@]2(C#N)C(N)=C(C#N)C#N)cc1OC	14944939	QGKWENUGZHOGNP-YJBOKZPZSA-N	344.334	1.605	50	40	EDGB	
CN1c2ccsc2/C(=N/NC(=O)c2ccccc2)CS1(=O)=O	1392653	IOIWIAGZIBYZJM-RVDMUPIBSA-N	335.410	1.662	50	40	EDGB	
CCOc1ncccc1C(=O)NNC(=O)c1ccc(OC)c(OC)c1	12784861	PACIGDPNWWTRNI-UHFFFAOYSA-N	345.355	1.572	50	40	EDGB	
O=C(NNC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1ccc(Cl)cc1	409383303	VVOFYOPYLIDASN-YRRQLQLVSA-N	334.759	1.624	50	40	EDGB	
COC(=O)[C@@H](CCC(=O)CCl)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	104095339	PDCJPQZLPKLUPB-SDDRHHMPSA-N	329.780	1.291	50	40	EDGB	
CCNC(=O)N(C)NS(=O)(=O)c1ccc(Br)cc1	95945082	JASYOAOTZAXFSE-UHFFFAOYSA-N	336.211	1.304	50	40	EDGB	
Cc1ccc(-n2ncc(C(=O)NNC(=O)c3ccccn3)c2C)cc1	24752140	NUVTWLFAULKKQV-UHFFFAOYSA-N	335.367	1.959	50	40	EDGB	
CNC(=O)/C(C#N)=C/c1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)o1	409004547	ALDHWMWNWRVAHC-KPKJPENVSA-N	340.291	1.996	50	40	EDGB	
CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2cccs2)cc1	142098	GTDVFYWZLDTMDY-UHFFFAOYSA-N	339.398	1.330	50	40	EDGB	
CN(C)c1ccc(/C=N/NC(=O)CC(=O)NCc2cccnc2)cc1	59461591	VQXBAXKQCQAHDC-FYJGNVAPSA-N	339.399	1.304	50	40	EDGB	
Cc1cc[n+](-c2[nH]c(=O)sc2/C=N/NC(=O)c2ccncc2)cc1	13750963	BSYKASCLRFEYJM-UHFFFAOYSA-O	340.388	1.180	50	40	EDGB	
Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)NN)cc2)cc1	409359030	MMROFLNMYBGTEK-UHFFFAOYSA-N	333.413	1.718	50	40	EDGB	
Cc1cc(C)nc(SCC(=O)NNC(=S)NC(C)(C)C)n1	408588845	ZRBCBXFOAHGWRA-UHFFFAOYSA-N	327.479	1.479	50	40	EDGB	
CC(=O)Nc1ccc(N(C(=O)CCl)[C@H]2CCS(=O)(=O)C2)cc1	40177615	XCFKGXZUYXLOTG-ZDUSSCGKSA-N	344.820	1.404	50	40	EDGB	
Cn1cccc1C(=O)NNS(=O)(=O)c1ccc2c(c1)CCCC2	21633002	SDHGKYWFMCWGPS-UHFFFAOYSA-N	333.413	1.527	50	40	EDGB	
NCCOCCOCCOCCSSc1cccc[n+]1[O-]	1857791547	OGYJVUKFWHIDEQ-UHFFFAOYSA-N	334.463	1.069	50	40	EDGB	
COC(=O)Cc1[nH]nc2c1[C@H](c1cccc(F)c1)C(C#N)=C(N)O2	4453395	LLBXCAQCLLKHBY-CYBMUJFWSA-N	328.303	1.482	50	40	EDGB	
CO[Si](Cc1ccc(C[Si](OC)(OC)OC)cc1)(OC)OC	196767475	GKMJIVDFRBQRTH-UHFFFAOYSA-N	346.528	1.606	50	40	EDGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1[N+](=O)[O-]	5515143	KIPPJFROKFCHDT-LICLKQGHSA-N	342.311	1.692	50	40	EDGB	
O=C1COc2cc(C(=O)NNc3ccccc3[N+](=O)[O-])ccc2N1	22592391	AMWZRCIAXJISMW-UHFFFAOYSA-N	328.284	1.683	50	40	EDGB	
CC1(C)CC(=O)C2=C(C1)NC(=O)[C@@]21C(C#N)=C(N)Oc2ccccc21	4517188	NHMMZKBIVHTDHQ-IBGZPJMESA-N	335.363	1.784	50	40	EDGB	
N#Cc1ccc(OCC(=O)NNC(=O)COc2cccc(F)c2)cc1	3259092	NLEAHGGAAOBJEN-UHFFFAOYSA-N	343.314	1.303	50	40	EDGB	
CC(=O)N1CCN(c2ccccc2N2C[C@@H](C(=O)Cl)CC2=O)CC1	57327888	BSUULJOBMAPHCJ-ZDUSSCGKSA-N	349.818	1.473	50	40	EDGB	
CC(=O)c1cccc(NS(=O)(=O)c2cccc(C(=O)NN)c2)c1	225501387	JRDJBUNPQJUCJM-UHFFFAOYSA-N	333.369	1.294	50	40	EDGB	
N#CC1=C(N)OC2=C([C@@H]1c1cccc([N+](=O)[O-])c1)S(=O)(=O)CCC2	606422318	LQFJQMKGAMUHOS-CYBMUJFWSA-N	347.352	1.823	50	40	EDGB	
O=C(O)CC/C(=N/NC(=O)c1cc2ccccc2cc1O)C(=O)O	5754513	QAQBPIRKEXIQAS-ATVHPVEESA-N	330.296	1.581	50	40	EDGB	
C[C@@H]1CCc2sc(C(=O)NNC(=O)c3cccc[n+]3[O-])cc2C1	44980378	PXLVEVHAAQXGJG-SNVBAGLBSA-N	331.397	1.581	50	40	EDGB	
CC[C@H]1CCc2sc(C(=O)NNC(=O)[C@H](C)NC(N)=O)cc2C1	27327176	HMNBTMLQMFWPNF-IUCAKERBSA-N	338.433	1.081	50	40	EDGB	
NNC(=O)c1cc(I)ccc1Br	2580652	ZTPUATYYDFFRET-UHFFFAOYSA-N	340.946	1.657	50	40	EDGB	
O=C(CCC(=O)NNC(=O)c1cccc(F)c1)NCc1ccco1	4700569	IEXWBKSWPPAIMV-UHFFFAOYSA-N	333.319	1.276	50	40	EDGB	
Cc1ccc(NCC(=O)NNC(=O)[C@@H](C)NC(=O)C(C)(C)C)c(C)c1	89614157	PSAKAVUYVDKXIS-CYBMUJFWSA-N	348.447	1.414	50	40	EDGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccc(F)cc12	60394	JSLPEOXHMYAFLZ-QGZVFWFLSA-N	325.299	1.747	50	40	EDGB	
COc1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)NC[C@H]1CCCO1	2801151	XQSIUSQPHSFRIF-WEKMIXOTSA-N	331.328	1.806	50	40	EDGB	
NC(=O)N/N=C/c1cc(Br)cc(Br)c1O	3344327	AATRXTHXAYDTEK-KGVSQERTSA-N	336.971	1.919	50	40	EDGB	
COc1ccccc1CC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	5704219	DVBNEJNPBRQLBR-LBPRGKRZSA-N	346.358	1.992	50	40	EDGB	
O=C1N(CN2CCOCC2)c2ccccc2[C@@]12OC[C@@H](CCl)O2	19831240	MRAGSXXFMHQZGC-WBMJQRKESA-N	338.791	1.130	50	40	EDGB	
CCCc1ccc(S(=O)(=O)NNC(=O)c2ccc(O)cc2)cc1	8338736	YRLUVWICWJSYTJ-UHFFFAOYSA-N	334.397	1.968	50	40	EDGB	
O=C(CCl)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1	8428179	HMCXQMCKARMTQF-UHFFFAOYSA-N	338.763	1.037	50	40	EDGB	
COC(=O)[C@@H](N)CSSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	31667364	OAGKNHDDSWBZIK-ZETCQYMHSA-N	333.347	1.744	50	40	EDGB	
Cc1cc([N+](=O)[O-])ccc1NCCN1C[C@@H](C(=O)Cl)CC1=O	45958648	SQHZTNZTCZQYIL-JTQLQIEISA-N	325.752	1.929	50	40	EDGB	
Cc1cccc([C@@H](O)[C@H](I)S(C)(=O)=O)c1	96519209	FGANCCPJHWZGME-NXEZZACHSA-N	340.182	1.834	50	40	EDGB	
Cc1c(O)n[nH]c1C(=O)N/N=C/c1cc(Br)ccc1O	6025017	RRQMPFHEQSSXPK-LHHJGKSTSA-N	339.149	1.656	50	40	EDGB	
CN1C(=O)NC(=O)/C(=C/c2ccc3c(c2)CCN3CCCCl)C1=O	5893965	FKCFFSSIGYHTFO-RAXLEYEMSA-N	347.802	1.770	50	40	EDGB	
C[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)c1ccccc1Cl	3612434	UICJQMUWZOBGHI-LLVKDONJSA-N	345.786	1.920	50	40	EDGB	
C[C@@H](Cc1ccccc1)NC(=O)CCNNC(=O)c1ccncc1	6437285	FWCDNFDSSSIPPN-AWEZNQCLSA-N	326.400	1.454	50	40	EDGB	
Cc1nc2c(o1)NC(N)=C(C#N)[C@@]21C(=O)Nc2ccc([N+](=O)[O-])cc21	8783363	HVNNXDUMDUTTSS-OAHLLOKOSA-N	338.283	1.249	50	40	EDGB	
O=C(/C=C\C(=O)OCCBr)OCCBr	104382336	RHVDRKUDYLMOFM-UPHRSURJSA-N	329.972	1.419	50	40	EDGB	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1C	13252871	QHTOTNDWQCTMIN-GJZGRUSLSA-N	346.383	1.497	50	40	EDGB	
CCOC(=O)NNC(=O)CCC(=O)N1CCSc2ccccc21	71184931	JLOFAELNDWFWSJ-UHFFFAOYSA-N	337.401	1.683	50	40	EDGB	
Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)NN)cc2)c1	33663534	ZDJVFTWACVKCKQ-UHFFFAOYSA-N	349.412	1.473	50	40	EDGB	
Cc1nc(NC(=S)N[C@H]2CS(=O)(=O)C[C@H]2Cl)sc1C	575424719	WDGCKEFTEYZDDF-SFYZADRCSA-N	339.895	1.451	50	40	EDGB	
O=C(CCC(=O)N/N=C1\C[C@H]2CC=C[C@H]12)N/N=C1\C[C@H]2CC=C[C@H]12	5896555	FPNBGHWYIAPUGB-YNCUZINGSA-N	326.400	1.903	50	40	EDGB	
CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1	5456207	XUCNMVOFFMSGGV-UDWIEESQSA-N	325.368	1.852	50	40	EDGB	
O=C(CCN1CCN(c2ccccc2)CC1)N/N=C/c1ccco1	6369145	OAOMXOMXVRMAEY-XDJHFCHBSA-N	326.400	1.942	50	40	EDGB	
COc1cc(/C=N\NC(=O)CNC(=O)c2ccccc2)ccc1O	102794134	JGXJXTXKNQSLQK-GRSHGNNSSA-N	327.340	1.281	50	40	EDGB	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1F	59434086	FBNYFDXHHJCAGL-RQZCQDPDSA-N	330.275	1.823	50	40	EDGB	
O=C(O)c1ccc(CS(=O)(=O)NNC(=O)C2CCCC2)cc1	585119068	ORIOGHOTWUXFJB-UHFFFAOYSA-N	326.374	1.026	50	40	EDGB	
O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1cccc(F)c1	5774756	USVSBJKLZYUTRI-LICLKQGHSA-N	335.360	1.254	50	40	EDGB	
C/C(=N\NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1oc2ccccc2c1C	98055320	CCQQRGOTTJUIJQ-MBNTZHJCSA-N	349.412	1.952	50	40	EDGB	
C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)CC(C)(C)CC(=O)O	12800872	MNTKMKCUJGZLGN-NSHDSACASA-N	347.371	1.364	50	40	EDGB	
COc1cccc(CC(=O)N/N=C\c2ccc(OCC(N)=O)cc2)c1	408961228	BOJPKQQYTBONLZ-JAIQZWGSSA-N	341.367	1.252	50	40	EDGB	
CC1(C)CC(=O)C2=C(C1)NC(N)=C(C#N)[C@]21C(=O)Nc2ccccc21	6419639	JFGCKUQKWRZXBT-IBGZPJMESA-N	334.379	1.817	50	40	EDGB	
O=C(CSc1ccccc1)NNC(=O)[C@@H]1COc2ccccc2O1	9861687	CMKDGNRENODULR-HNNXBMFYSA-N	344.392	1.766	50	40	EDGB	
O=C1OC(=O)[C@H]2[C@@H]1N(Cc1ccccc1)C(=O)N2Cc1ccccc1	72399671	WIVKAHXCBJSNDF-IYBDPMFKSA-N	336.347	1.945	50	40	EDGB	in-vitro
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3ncnc(O)c32)ccc1OC	16688864	JTMKMSWYHMRPFR-CYBMUJFWSA-N	340.339	1.808	50	40	EDGB	
C/C(=N\NC(=O)CN(c1ccccc1)S(C)(=O)=O)c1ccccc1	19954012	JBWPHTZFQUXUKH-NBVRZTHBSA-N	345.424	1.993	50	40	EDGB	
COc1cc(/C=N/NC(=O)C[n+]2ccccc2)ccc1OC(C)=O	2705239	HLKJTVDYIDSIPR-WOJGMQOQSA-O	328.348	1.058	50	40	EDGB	
CCc1sc(C(=O)NNC(=O)CCN2CCSC2=O)cc1C	24763571	DLNGHZMEZCFEKI-UHFFFAOYSA-N	341.458	1.939	50	40	EDGB	
Cc1nc(C)c(CCC(=O)NNC(=O)c2ccccc2C)c(=O)[nH]1	57915236	YQFUHONEZBUFMC-UHFFFAOYSA-N	328.372	1.089	50	40	EDGB	
CCOc1c(I)cc(C(=O)NN)cc1OC	216945090	BNIJXWZZWMPTAQ-UHFFFAOYSA-N	336.129	1.302	50	40	EDGB	
COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccccc2)cc1	223156832	NVKLXUGOWGBVBC-WQRHYEAKSA-N	325.324	1.562	50	40	EDGB	
N#C/C(=C/c1ccc(N2CCOCC2)cc1)C(=O)NC[C@@H]1CCCO1	97990548	SVDYYIPJOXEELG-XOQYZJNISA-N	341.411	1.725	50	40	EDGB	
C[C@@H](C(=O)N/N=C/c1ccc2c(c1)OCO2)n1nnc2ccccc21	124566	WXCWKXTURYLPGR-KECVIQKOSA-N	337.339	1.871	50	40	EDGB	
COc1ccc([C@@H]2C(C#N)=C(N)O[C@@H]3NN=C(C(F)(F)F)[C@@H]32)cc1	5513964	WYEWJZSHVXDDKU-SUNKGSAMSA-N	338.289	1.967	50	40	EDGB	
CCCCC(=O)NNC(=O)Cc1nnc(NC(=O)CCCC)s1	5978007	MNHNWBXXTUSEPJ-UHFFFAOYSA-N	341.437	1.547	50	40	EDGB	
C[C@H](NC(=O)COc1ccccc1)C(=O)NNC(=O)c1cccs1	6509701	CLRDRMAQMXTKRX-NSHDSACASA-N	347.396	1.093	50	40	EDGB	
COc1ccc(C(=O)NN[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1	510408	BMPHJXAGHZXNCQ-OAHLLOKOSA-N	339.351	1.262	50	40	EDGB	
CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N\Nc1cccc(Cl)c1	101145397	MQAFROYJOZITTB-UYRXBGFRSA-N	332.747	1.309	50	40	EDGB	
O=C(NNC(=O)C1CC1)Nc1cc(Cl)ccc1N1CCOCC1	96013177	OMLIHKJHPRVSON-UHFFFAOYSA-N	338.795	1.739	50	40	EDGB	
CCc1ccc(C(=O)NNC(=O)c2nnc(-c3ccccc3)o2)o1	56481089	MZZFWIYVPAHIQG-UHFFFAOYSA-N	326.312	1.967	50	40	EDGB	
COc1ccc(O)c(/C=N/NC(=O)c2nc3nc(C)cc(C)n3n2)c1	131724	JQHBEVJSJBVDDC-CAOOACKPSA-N	340.343	1.219	50	40	EDGB	
NC(=O)N/N=C/c1sc(N2CCOCC2)nc1-c1ccccc1	3572437	OBKCYZHKOZIMMW-LICLKQGHSA-N	331.401	1.649	50	40	EDGB	
COCCNC(=O)CC(=O)N/N=C/c1c(Cl)cccc1Cl	59515340	YYFQZWNTAQVPCS-CAOOACKPSA-N	332.187	1.596	50	40	EDGB	
CCc1ccc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)cc1	6652402	VNTQPOQNZOYUDP-UHFFFAOYSA-N	336.351	1.560	50	40	EDGB	
O=C(CC(=O)NC1CCCCC1)N/N=C/c1ccc2c(c1)OCCO2	408718384	VYNGFZKHDVWRKA-XDHOZWIPSA-N	345.399	1.747	50	40	EDGB	
O=C(CC(=O)NC1CCCCC1)N/N=C\c1ccccc1C(=O)O	408979071	LCLITPCPLBATSK-WQRHYEAKSA-N	331.372	1.674	50	40	EDGB	
Cc1cc(OCC(=O)NNC(=O)c2cccnc2O)ccc1Cl	12923005	UPWLHSBVOFLACX-UHFFFAOYSA-N	335.747	1.589	50	40	EDGB	
NC(=O)N[C@H](CC(=O)NNC(=O)C1CCCCC1)c1cccs1	11148350	IIZZGSLJDKIWLZ-LLVKDONJSA-N	338.433	1.575	50	40	EDGB	
CN1CCN(CCC(=O)NNC(=O)Nc2ccc(Cl)cc2)CC1	19370588	SWXRMTXNMLUJAH-UHFFFAOYSA-N	339.827	1.130	50	40	EDGB	
CC1(C)[C@@]2(C)CC[C@@]1(C(=O)NNC(=O)Cc1ccccc1)OC2=O	100260572	DPOADRMQRWCCCK-ROUUACIJSA-N	330.384	1.498	50	40	EDGB	
O=C1OC(=O)[C@H]2[C@H]1[C@]13CCCC1=C1CC[C@@]34C(=O)OC(=O)[C@@]43C[C@]123	103836205	SCXMMDDLZBZWFH-AOXASYEASA-N	326.304	1.036	50	40	EDGB	
CC1(C)[C@@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccc(F)cc1)OC2=O	100260594	HGYOKGPICDBSDO-IRXDYDNUSA-N	334.347	1.709	50	40	EDGB	
CC1(CC(=O)N/N=C/c2ccc(OC3CSC3)cc2)OCCO1	408884609	YNGBNILJBGUTFB-RQZCQDPDSA-N	336.413	1.784	50	40	EDGB	
C[C@@H](NC(=O)C(=O)N/N=C/c1ccc2c(c1)OCO2)c1ccccc1	3009189	PFJDXZLWNMPJAH-AINDZBIGSA-N	339.351	1.743	50	40	EDGB	
CC/C(=N\NC(=O)Nc1nonc1N)c1ccc(OC)c(OC)c1	13110313	FOLAJRNPXSXJSK-RQZCQDPDSA-N	334.336	1.605	50	40	EDGB	
O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccccc1	6051991	QSMDXYWHXDLADT-UHFFFAOYSA-N	343.295	1.213	50	40	EDGB	
O=C(COc1ccc(-n2cnnn2)cc1)N/N=C/C=C/c1ccccc1	2319152	LFLJOYXFKDDFQK-MZBBQUMVSA-N	348.366	1.857	50	40	EDGB	
Cc1cc[n+](-c2[nH]c(=O)sc2/C=N\NC(=O)c2ccccc2)cc1	13110480	CYSVMSAQXWILNU-UHFFFAOYSA-O	339.400	1.785	50	40	EDGB	
CCN(C)c1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1	65522550	XJKXKCLWKDEVDD-UHFFFAOYSA-N	341.367	1.946	50	40	EDGB	
Cc1ccccc1N(CC(=O)N/N=C/c1cccnc1)S(C)(=O)=O	20207489	MLPASFJIFUTDFC-WOJGMQOQSA-N	346.412	1.306	50	40	EDGB	
Cn1c(=O)n(C)c2cc(/C=C(\C#N)C(=O)NCc3ccco3)ccc21	329291	XGOOVWWYYPNKSZ-MDWZMJQESA-N	336.351	1.693	50	40	EDGB	
Cc1cc2c(c(=O)n1C)[C@H](c1ccc(C(=O)O)cc1)C(C#N)=C(N)O2	20086732	URJNBXWGDWARHE-CQSZACIVSA-N	337.335	1.610	50	40	EDGB	
Cc1nc2cc(F)cc(C(=O)NNC(=O)[C@@H]3CCCO3)c2nc1C	58248871	PGZHHTUZZPLDTL-ZDUSSCGKSA-N	332.335	1.326	50	40	EDGB	
C#CCOc1cc(Br)c(/C=N/NC(C)=O)cc1OC	409019502	JLWGABSCDLCBAD-OVCLIPMQSA-N	325.162	1.940	50	40	EDGB	
NNC(=O)c1cnc(COc2ccccc2)nc1N1CCCCC1	223461528	CHXLMVHHDXITEY-UHFFFAOYSA-N	327.388	1.649	50	40	EDGB	
CCCCCC(=O)NN[C@@H]1CC(=O)N(c2cccc(OCC)c2)C1=O	2220703	MPNYORBZWMOPLD-OAHLLOKOSA-N	347.415	1.918	50	40	EDGB	
NNC(=O)[C@@H](NC(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2	3899903	PIBGLGWSGAREAF-SFIVQVFOSA-N	327.428	1.991	50	40	EDGB	
Cc1ncc(CO)c(/C=N/NC(=O)COc2ccccc2F)c1O	3285812	JZKOCPUCNIHAED-FBCYGCLPSA-N	333.319	1.256	50	40	EDGB	
O=C(N/N=C/c1cc2cc3c(cc2[nH]c1=O)OCO3)c1ccncc1	9014008	KIKCFFKNSCDIKS-UFWORHAWSA-N	336.307	1.416	50	40	EDGB	
O=C(Cn1cnc2ccccc21)NNC(=O)c1ccc2c(c1)COC2	64485158	VRSDUGZNJPWNPR-UHFFFAOYSA-N	336.351	1.528	50	40	EDGB	
C/C(=N\NC(=O)Cn1nnc2ccccc21)c1cccc([N+](=O)[O-])c1	4575407	KCXCKYPRMYAALU-GZTJUZNOSA-N	338.327	1.880	50	40	EDGB	
CC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(N(C)C)cc2)s1	408732738	YCVLOLCRAHGVFC-CXUHLZMHSA-N	346.416	1.255	50	40	EDGB	
CCOc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OC(C)=O	408759139	YKNYKXHSGIXVCS-XNTDXEJSSA-N	344.367	1.776	50	40	EDGB	
CCn1ncc(/C=N/NC(=O)c2n[nH]cc2Br)c1F	252478996	AYXKZBTYTPDAOM-QLKAYGNNSA-N	329.133	1.292	50	40	EDGB	
COC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(N)=O)=C(C)N1	121907	JNHIMBOHOLBHPV-CYBMUJFWSA-N	333.369	1.367	50	40	EDGB	
CN(C)N(C(=O)/C=C/c1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1	8855591	QNEZLKNFCRMAHJ-PSKZRQQASA-N	326.393	1.331	50	40	EDGB	
CCN(CC)[C@H]1S[C@H]2CS(=O)(=O)[C@H](Br)[C@@H]2S1	36724844	VMYACRIMMOHSLT-KZVJFYERSA-N	346.337	1.978	50	40	EDGB	
COCCCNC(=O)/C(C#N)=C/c1ccc(OCC#N)c(OC)c1	6429028	NNGFXTKLEMHKEJ-GXDHUFHOSA-N	329.356	1.657	50	40	EDGB	
O=C(O)COc1ccccc1/C=N/NC(=O)c1ccc2c(c1)OCO2	43428	PASPRCVGGCSEBB-QGMBQPNBSA-N	342.307	1.643	50	40	EDGB	
C[C@H](NC(=O)C(=O)N/N=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1	32923312	OGHBJSMALWFTLY-SJWFJVLYSA-N	340.339	1.922	50	40	EDGB	
C[C@@H](NC(=O)C(=O)N/N=C\c1cccc([N+](=O)[O-])c1)c1ccccc1	32923320	JOJIKMUOAZECOG-OTWJJXBCSA-N	340.339	1.922	50	40	EDGB	
CC[C@H](NNC(=O)Cc1ccc(OC)cc1)C(=O)Nc1cc(C)on1	32853658	WKFYHPDVOKJCRP-AWEZNQCLSA-N	346.387	1.572	50	40	EDGB	
O=C(COc1ccccc1)NN[C@@H]1CC(=O)N(c2ccccc2)C1=O	242422	ZVTXNWUNMDICFV-OAHLLOKOSA-N	339.351	1.018	50	40	EDGB	
CCOC(=O)c1ccc(N/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)cc1	2755985	RZNSYDPNBPKXKP-GDNBJRDFSA-N	339.351	1.998	50	40	EDGB	
Cc1cccc(-n2ncc(C(=O)NNC(=O)c3ccccn3)c2C)c1	24839537	RNRSBMZUJUYNOE-UHFFFAOYSA-N	335.367	1.959	50	40	EDGB	
CC(C)(C(=O)N/N=C/c1ccc(F)s1)n1cc([N+](=O)[O-])cn1	252484024	FMFKPXSGSKVJNU-MKMNVTDBSA-N	325.325	1.877	50	40	EDGB	
CCc1cc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cs1	8199708	GYZCOMSSBIXYIP-DTVLGXAZSA-N	336.413	1.818	50	40	EDGB	
Cc1cccc[n+]1[C@H]1[C@@H](c2cccnc2)C(C#N)=C(S)N[C@]1(C)O	20459121	SSLKCSZANXXVOG-XYJFISCASA-O	339.444	1.979	50	40	EDGB	
C#CCN1C(=O)/C(=N/NC(=O)COc2ccc(C)cc2)c2ccccc21	5968656	VSZIHBCANKWKAI-ZBJSNUHESA-N	347.374	1.874	50	40	EDGB	
COc1ccccc1/C=C/C(=O)NCC(=O)N/N=C(\C)c1ccco1	5006188	WYNDJTBNUFDNJE-RUWBGJHDSA-N	341.367	1.958	50	40	EDGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\NC(=O)Nc1ccc(O)cc1C	16282545	PPIIEJULQCDFOV-JYRVWZFOSA-N	340.339	1.545	50	40	EDGB	
COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccn2)cc1OC	17441231	YZGXEIYIPVFVIP-VCHYOVAHSA-N	328.328	1.188	50	40	EDGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccco2)ccc1OCC(N)=O	6181191	GICWXSWVRWKTSF-KPKJPENVSA-N	341.323	1.698	50	40	EDGB	
O=C(Cc1cn2ccsc2n1)N/N=C/c1ccc2c(c1)OCCO2	3284696	HNDPBAFOSZVZBU-RQZCQDPDSA-N	342.380	1.860	50	40	EDGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1[nH]ncc1Br	369161	KKRVPIIJILWIMA-WLRTZDKTSA-N	338.121	1.844	50	40	EDGB	
Cc1cccc(OCC(=O)NNC(=O)c2ccnc(N(C)C)c2)c1	47046226	ZWQPHZDULINASO-UHFFFAOYSA-N	328.372	1.296	50	40	EDGB	
COc1ccc2c3c1O[C@@H]1[C@H](O)[C@H](Cl)C=C4[C@H](C2)N(C)CC[C@]431	100393474	YINRMDCHZPUWLJ-RCDWFSIISA-N	333.815	1.863	50	40	EDGB	biogenic,in-vitro
CCOC(=O)C1CCN(CC(=O)NNC(=O)c2ccc(C)cc2)CC1	19538613	IOZQHSYSVRCBAS-UHFFFAOYSA-N	347.415	1.031	50	40	EDGB	
Cc1nc(NC(=S)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)sc1C	575424718	WDGCKEFTEYZDDF-JGVFFNPUSA-N	339.895	1.451	50	40	EDGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1O	2025192	XBQGGUCDBSJAID-UDWIEESQSA-N	341.367	1.557	50	40	EDGB	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCCC[C@@H]2C(=O)O)c(C)c1	6844028	DTEBGNMWVPOVNY-KBPBESRZSA-N	348.399	1.721	50	40	EDGB	
COc1cc(/C=N/NC(=O)C[n+]2ccccc2)cc(OC)c1OC	1793844	MQEGSBNJQFWYLC-WOJGMQOQSA-O	330.364	1.150	50	40	EDGB	
Cc1cc2c(c(=O)n1C)[C@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2	2228348	IZBVWEGCFUVKKM-OAHLLOKOSA-N	337.335	1.641	50	40	EDGB	
CCc1c(C(=O)NNC(=S)NC[C@@H]2CCCO2)csc1C	13554681	DLQDZSLVCDWDJQ-JTQLQIEISA-N	327.475	1.907	50	40	EDGB	
COc1ccc2nc(/C=N/NC(=O)[C@@H](N)CCSC)ccc2c1	5072295	NZXGUKBILUTXKU-XKYMITNMSA-N	332.429	1.774	50	40	EDGB	
C/C(=N/NC(=O)CNC(=O)[C@H]1COc2ccccc2O1)c1ccco1	13142065	XBGOHECTZPXMRK-MXDDHBLUSA-N	343.339	1.076	50	40	EDGB	
O=C(N[C@H](COO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl	200273312	UFORKPVQUGDUFR-RKDXNWHRSA-N	339.131	1.406	50	40	EDGB	
O=C(N/N=C\c1ccc([N+](=O)[O-])s1)[C@H]1COc2ccccc2O1	4957485	XXTQEWLVRQUOKU-FKZYXTMDSA-N	333.325	1.946	50	40	EDGB	
COS(=O)(=O)C(=O)N[C@H]1CCCC[C@H]1I	1712345	JFCWZSSYFOQMLI-RQJHMYQMSA-N	347.174	1.418	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)c2cn(C)nc2C(F)(F)F)cc1	1402691	RDWBGWVDUURDQP-UHFFFAOYSA-N	326.278	1.822	50	40	EDGB	
O=C(NC(=S)NNC(=O)[C@@H]1C[C@H]1c1ccccc1)c1cccnc1	2252595	HLPISEZOPXIFAY-UONOGXRCSA-N	340.408	1.521	50	40	EDGB	
N#Cc1ccccc1OCC(=O)NNC(=O)[C@@H]1Cc2ccccc2O1	7961071	BOBQSNKKLGQQDS-INIZCTEOSA-N	337.335	1.088	50	40	EDGB	
O=C(CN1CCCc2ccccc21)NNC(=O)NCC(F)(F)F	46916560	GADZQBWVNUNBRB-UHFFFAOYSA-N	330.310	1.332	50	40	EDGB	
Cc1cccc(OCC(=O)NCC(=O)N/N=C/c2cccnc2)c1	2283898	QSSPFFYWPSQDOI-KEBDBYFISA-N	326.356	1.035	50	40	EDGB	
CCc1n[nH]c2c1[C@H](c1ccc(OCC(N)=O)cc1)C(C#N)=C(N)O2	987561	DQLKHKQLPXJYAT-CQSZACIVSA-N	339.355	1.054	50	40	EDGB	
Cc1csc(=O)n1CCCC(=O)NNC(=O)c1ccccc1O	14197140	JTWHHFSDOMKNDE-UHFFFAOYSA-N	335.385	1.165	50	40	EDGB	
O=C1NC(=O)N2C[C@H](CBr)O[C@H]2[C@H]1c1ccccc1	5395459	DFDGSUXSGLUAGM-NHCYSSNCSA-N	325.162	1.442	50	40	EDGB	
COc1ccc(O)c(/C=N/NC(=O)CNc2ccccc2OC)c1	60531	KSXQAAIMJLEETO-VXLYETTFSA-N	329.356	1.972	50	40	EDGB	
COc1ccc(C)cc1NC(=O)C/C(C)=N/NC(=O)C(=O)NC(C)C	4409774	FHNWXMSFJNAITL-UDWIEESQSA-N	348.403	1.349	50	40	EDGB	
COC(=O)Cc1c(C(=O)OC)sc2nc(CCl)[nH]c(=O)c12	3888425	QFTHNWBXQUIGQG-UHFFFAOYSA-N	330.749	1.226	50	40	EDGB	
CC1=C(C#N)[C@](NS(=O)(=O)c2ccccc2)(C(F)(F)F)C(=O)N1	4717994	ODRNXGDCTRPSIB-GFCCVEGCSA-N	345.302	1.193	50	40	EDGB	
O=C(/C=C/c1cnccn1)NNC(=O)C12CC3CC(CC(C3)C1)C2	71819328	MFZOZTRCDJEMBC-OWOJBTEDSA-N	326.400	1.854	50	40	EDGB	
Cc1n[nH]c2c1[C@@H](c1ccc(N3CCOCC3)cc1)C(C#N)=C(N)O2	581361	GODWYMWRIXMWLJ-INIZCTEOSA-N	337.383	1.773	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-]	2081555	SPKUPDUGRRGKGQ-UHFFFAOYSA-N	344.283	1.886	50	40	EDGB	
C[C@H](Oc1ccccc1)C(=O)NNC(=O)Cc1ccc([N+](=O)[O-])cc1	4589126	VURMJMPPWJLHCU-LBPRGKRZSA-N	343.339	1.752	50	40	EDGB	
O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1ccccc1O	408972424	BPHWWTLCBNVVGY-MBTVCVBTSA-N	337.379	1.858	50	40	EDGB	
COc1ccccc1OCC(=O)N/N=C\c1cccc([N+](=O)[O-])c1O	409088911	MFVNRXLTWJUGJX-MFOYZWKCSA-N	345.311	1.838	50	40	EDGB	
NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1	15144941	OXLAOHQAXXBDRQ-DJKKODMXSA-N	331.759	1.968	50	40	EDGB	
COC(=O)CC(C)(C)C[C@@]1(OC)OC(C#N)=C(N)C1=C(C#N)C#N	100256790	RUMWYAAUBFWEFL-MRXNPFEDSA-N	330.344	1.376	50	40	EDGB	
COC(=O)CSC1=C(C#N)[C@@H](c2ccc3c(c2)OCO3)CC(=O)N1	121851	GOHSLRHFFHURLM-SNVBAGLBSA-N	346.364	1.660	50	40	EDGB	
O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1ccc(F)cc1	1957888	AFOZWTULJOSMHK-LICLKQGHSA-N	335.360	1.254	50	40	EDGB	
CC(=O)c1ccc(OCCCC(=O)OCC(=O)/C(C#N)=C(/C)N)cc1	104339579	FVJDHIPROAUNEC-VBKFSLOCSA-N	344.367	1.917	50	40	EDGB	
COc1cc(OC)cc(C(=O)NNC(=O)COc2ccccc2)c1	3556748	ZREYKNCUXKMULK-UHFFFAOYSA-N	330.340	1.544	50	40	EDGB	
O=C(NNC(=O)[C@H]1CC(c2cccc(F)c2)=NO1)c1cccs1	47932080	WLJIKBUGSLIHKK-GFCCVEGCSA-N	333.344	1.841	50	40	EDGB	
COc1ccc(OC)c(NC(=S)NNC(=O)c2cccnc2)c1	1405714	QXDZXVQJTJYFRH-UHFFFAOYSA-N	332.385	1.730	50	40	EDGB	
Cc1ccccc1OCC(=O)N/N=C/c1ccc(S(=O)(=O)O)o1	1801397	YRVNBBFMRNHFGS-OVCLIPMQSA-N	338.341	1.364	50	40	EDGB	
O=C(CC(=O)N/N=C/c1ccc(F)cc1)N/N=C/c1ccc(F)cc1	2318562	MAPYVAYHBIZRRN-CLVAPQHMSA-N	344.321	1.955	50	40	EDGB	
O=S(=O)(NCCN1CCOCC1)c1ccc(CCCCl)cc1	69601973	GJXURVZHWUOKOS-UHFFFAOYSA-N	346.880	1.469	50	40	EDGB	
CC1=CC(=O)[C@H]2N=C(C(=O)N/N=C/c3ccccc3O)CSC2=N1	13281231	KXYGGIFSZHMZRK-BYNSURFDSA-N	342.380	1.284	50	40	EDGB	
CCCn1nc(C(=O)NNC(=O)CC(C)C)c2ccccc2c1=O	6929885	LLAIKOSOYBXARX-UHFFFAOYSA-N	330.388	1.614	50	40	EDGB	
CN(C)c1cccc(C(=O)NNC(=O)Cc2noc3ccccc23)c1	12543602	DEBDYRDJBRGQNZ-UHFFFAOYSA-N	338.367	1.898	50	40	EDGB	
CCc1ccc(OCC(=O)NNC(=O)c2c(CC)noc2C)cc1	8189438	UQVBRUMXYJXEEU-UHFFFAOYSA-N	331.372	1.948	50	40	EDGB	
COc1ccc2ccccc2c1/C=N/NC(=O)CN1CCOCC1	59166772	GMVZGHSBQFUBDA-XDHOZWIPSA-N	327.384	1.631	50	40	EDGB	
Cc1oc(/C=N/NC(=O)CN2CCOCC2)cc1Br	408841500	KWOVUTZWFLEGCO-VGOFMYFVSA-N	330.182	1.133	50	40	EDGB	
O=C(COc1ccccc1)NCC(=O)N/N=C/c1ccc(Cl)cc1	4079685	WNFPREGDCQRHQK-KEBDBYFISA-N	345.786	1.985	50	40	EDGB	
CCCCC(=O)NN/C=C1\C(=O)N=C(O)N(c2ccccc2)C1=O	2251492	RTTQRYZZWMAZAL-ZRDIBKRKSA-N	330.344	1.169	50	40	EDGB	
COCCNC(=S)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	6336977	PDNOVWMWLGYNME-VIFPVBQESA-N	327.475	1.628	50	40	EDGB	
COc1ccc(N(C(=O)CCl)[C@H]2CCS(=O)(=O)C2)cc1OC	40177617	JPFDUTZGNNWWQC-NSHDSACASA-N	347.820	1.463	50	40	EDGB	
CS(=O)(=O)[C@H](I)[C@H](O)c1ccccc1F	96519192	ADZCZSARIKPSEA-BDAKNGLRSA-N	344.145	1.665	50	40	EDGB	
C[C@@H](Oc1ccc(/C=C(/C#N)C(=O)N2CCOCC2)cc1)C(=O)O	5017886	QBCLBGCVVBUQBJ-XTCQQWIJSA-N	330.340	1.304	50	40	EDGB	
O=C(CSc1nc(O)c2ccccc2n1)NNC(=O)c1ccco1	17015258	MEAKZFJEKWMKFD-UHFFFAOYSA-N	344.352	1.482	50	40	EDGB	
CCCCC/C(C[C@H]1NC(=S)NC1=O)=N/NC(=O)c1ccncc1	17300247	XCTKVSMFNAGWLC-UAAGNOOKSA-N	347.444	1.511	50	40	EDGB	
Cn1cccc1CC(=O)NNC(=O)c1cc(=O)c2ccccc2o1	3362281	CXWRUWFZGOJSLW-UHFFFAOYSA-N	325.324	1.135	50	40	EDGB	
O=C(N/N=C\c1ccccc1[N+](=O)[O-])c1cc([N+](=O)[O-])ccc1O	83326997	KYRHDFPTAAZQSF-NVNXTCNLSA-N	330.256	1.973	50	40	EDGB	
N#C/C(=C\c1cn(CC(=O)NCc2ccco2)c2ccccc12)C(N)=O	555768	NKZWLCCORJEWQC-MDWZMJQESA-N	348.362	1.943	50	40	EDGB	
CCOc1ccccc1[C@H]1C(C#N)=C(S)NC(=O)[C@H]1C(=O)OC	127714	XOZPMVQVWPEEBG-STQMWFEESA-N	332.381	1.753	50	40	EDGB	
COCc1n[nH]c2c1[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2	537391	LSMWROAQFAXWEW-GFCCVEGCSA-N	327.300	1.682	50	40	EDGB	
O=C(NNC(=O)[C@H]1CCCC[C@H]1C(=O)O)c1cccc([N+](=O)[O-])c1	487111	RESXJRSBBIFSMA-NWDGAFQWSA-N	335.316	1.247	50	40	EDGB	
COc1ccc(OCC(=O)NNC(=O)CCc2ccccc2)cc1	4893113	MZZAENGAIXFEDE-UHFFFAOYSA-N	328.368	1.854	50	40	EDGB	
NC(=O)Cn1cc(/C=N\NC(=O)c2cccc(O)c2)c2ccccc21	33660163	VHFABRUZXQVHQM-UKWGHVSLSA-N	336.351	1.596	50	40	EDGB	
O=C(NN[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccco1	100572067	TUQNUWLPOJIBMW-NSHDSACASA-N	333.731	1.500	50	40	EDGB	
Cc1cc(C(=O)NNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c(C)o1	26991953	DFQWWUFQCGUFOF-LBPRGKRZSA-N	333.388	1.449	50	40	EDGB	
CC(C)CC(=O)NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3	6981957	UNCUNWRXKXMFEX-UHFFFAOYSA-N	328.372	1.150	50	40	EDGB	
O=C(O)c1cccc(S(=O)(=O)NNC(=O)C2CCCC2)c1F	585141741	ZSOHVRNBSKMPCN-UHFFFAOYSA-N	330.337	1.024	50	40	EDGB	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(OC)ccc1OC	98083	ZVEZJBHJHZVBPX-OAHLLOKOSA-N	330.340	1.958	50	40	EDGB	
O=C(NNC(=O)[C@]12CCC(=O)N1c1ccccc1S2)C1CCCC1	95349926	GFALHIHGHZSGKW-QGZVFWFLSA-N	345.424	1.953	50	40	EDGB	
CCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccccc2OC)s1	408731192	LDNLJFRYPQPVTI-CXUHLZMHSA-N	347.400	1.588	50	40	EDGB	
CCOc1ccc(OCCC(=O)NNC(=O)c2ccncc2)cc1	15273234	SRKGZKTXQRDDRN-UHFFFAOYSA-N	329.356	1.710	50	40	EDGB	
NC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O	364105	YMSVDOXXZGSMPV-ZDUSSCGKSA-N	332.231	1.113	50	40	EDGB	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)OCC(=O)N1CCOCC1	3300967	RDWZJSCCVXEZKS-UKTHLTGXSA-N	334.759	1.649	50	40	EDGB	
Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C/c1c[nH]c2ccccc12	4739905	AJDIUQJINKFFTI-CNHKJKLMSA-N	326.316	1.731	50	40	EDGB	
COc1cc([N+](=O)[O-])ccc1NCCN1C[C@H](C(=O)Cl)CC1=O	45958662	NJZKMKNEAWQZRB-SECBINFHSA-N	341.751	1.629	50	40	EDGB	
Cn1ncc(Br)c1C(=O)N/N=C/c1ccc(O)cc1O	5756555	NFEOTSGXYDVOOZ-LHHJGKSTSA-N	339.149	1.358	50	40	EDGB	
COc1ccc(C(=O)N/N=C(\C)CC(=O)NC[C@@H]2CCCO2)cc1	5289161	WPFCSVZHEJMYFQ-UZUMKDMXSA-N	333.388	1.486	50	40	EDGB	
COC(=O)[C@@H]1/C(=N/NC(=O)CC#N)C[C@@](C)(O)C[C@@H]1c1ccccc1	100248861	KJYWBBYLFGJCMQ-LAHGDVRKSA-N	343.383	1.490	50	40	EDGB	
C[C@@H](O)C(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1	59566556	QWRBQBJBYKPAFI-OTGIAGGSSA-N	347.415	1.345	50	40	EDGB	
CC(=O)N/N=C\c1ccc(OCC(=O)NCc2ccccc2)cc1	58883208	VJEOZBPGAGTNIF-NDENLUEZSA-N	325.368	1.852	50	40	EDGB	
CCNC(=O)C(=O)N/N=C/c1ccccc1OCc1ccccc1	408613249	YKRVCZOBIXFXFP-UDWIEESQSA-N	325.368	1.852	50	40	EDGB	
Cc1nc(NC(=O)NNC(=O)c2ccc(-n3ccnc3)cc2)no1	96011741	AXAPGCNVMKPWPB-UHFFFAOYSA-N	327.304	1.030	50	40	EDGB	
COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1nonc1N	408735726	VUDGQCXBEBLTKW-SYZQJQIISA-N	330.131	1.731	50	40	EDGB	
Cc1cc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2)no1	6785364	ISORWVSRBDHCDB-UHFFFAOYSA-N	339.735	1.242	50	40	EDGB	
CC(C)(C)OC(=O)N1CCN(Cc2ccc(C(=O)NN)cc2)CC1	575442469	YXTVSFNRKMBPKW-UHFFFAOYSA-N	334.420	1.343	50	40	EDGB	
Cc1ccc(C)c(NC(=O)C(=O)NNC(=O)COc2ccccc2)c1	5927597	TWRPGNLBNWYZAN-UHFFFAOYSA-N	341.367	1.468	50	40	EDGB	
CCOc1ccc(C(O)(C(=O)NN)c2ccc(OCC)cc2)cc1	333940	IWCFVHRSMNIFDB-UHFFFAOYSA-N	330.384	1.710	50	40	EDGB	
CCOC(=O)/C(C#N)=C1/S[C@@H](CCO)C(=O)N1c1ccccc1	554880	QOUYCVPVIJHRFS-UESPBHMZSA-N	332.381	1.816	50	40	EDGB	
CC(=O)OCC(CBr)(CBr)COC(C)=O	1680347	PLGAJWJALIHQCS-UHFFFAOYSA-N	346.015	1.889	50	40	EDGB	
CCC(=O)NNC(=O)CSc1nnc2c(C)cc3ccccc3n12	4213871	ALMDSYQJMSOGBW-UHFFFAOYSA-N	343.412	1.840	50	40	EDGB	
Cc1cccc(OCC(=O)NNC(=O)CN2CCCCCCC2=O)c1	48025056	XYKSJXDIWNUQCN-UHFFFAOYSA-N	347.415	1.314	50	40	EDGB	
COc1ccc(/C=C2\SC(=S)N([C@H]3CC(=O)OC3=O)C2=O)cc1	100746750	CFTONAZDUOGIEW-OYUORYAFSA-N	349.389	1.739	50	40	EDGB	
CC[C@H](Cl)Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C	158218	GCBTXQFECWBOJT-LURJTMIESA-N	349.616	1.214	50	40	EDGB	
COc1ccc(C(=O)N/N=C2/C(=O)N(C)c3ccccc32)cc1OC	5730919	QVQMMWQUBGULOX-KNTRCKAVSA-N	339.351	1.814	50	40	EDGB	
O=C(CC(=O)N/N=C/c1ccc(O)cc1)N/N=C\c1ccc(O)cc1	36643816	QJTBIGLYHXSOOR-OMYAATJGSA-N	340.339	1.088	50	40	EDGB	
CC(C)CC(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1	32795787	CEWOOESPCYSLKS-OAHLLOKOSA-N	343.427	1.722	50	40	EDGB	
O=C(COc1ccc(-n2cnnn2)cc1)N/N=C/c1ccccc1F	547832	SAONCACJAAHKGX-GIJQJNRQSA-N	340.318	1.331	50	40	EDGB	
CN(CCI)CCI	4887728	KEISBYMGOGRSEK-UHFFFAOYSA-N	338.958	1.788	50	40	EDGB	
CC(=O)N1CCC(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)CC1	17157646	UALLXZCYSYSVNI-UHFFFAOYSA-N	347.459	1.609	50	40	EDGB	
O=C(N/N=C/[C@@H]1C[C@H]2C=C[C@@H]1C2)C(=O)N/N=C/[C@@H]1C[C@@H]2C=C[C@@H]1C2	225696922	NGTNPOWMSTVRGR-BFEICNGQSA-N	326.400	1.615	50	40	EDGB	
COc1cccc(/C=N/NC(=O)c2nc3nc(C)cc(C)n3n2)c1O	131600	LIFZBWCHSZNVBR-CAOOACKPSA-N	340.343	1.219	50	40	EDGB	
COc1cccc(C(=O)NNC(=O)C(=O)Nc2ccccc2C)c1	4838854	VESDZSSYXVYCEP-UHFFFAOYSA-N	327.340	1.403	50	40	EDGB	
COC(=O)[C@H]1[C@H]2[C@H](Br)C(=O)N(C(=O)OC(C)(C)C)[C@H]12	100238648	IDBRBQSVIDEUTJ-XAMCCFCMSA-N	334.166	1.315	50	40	EDGB	
CC1=C(C)C[C@@H](C(=O)NNC(=O)c2ccccc2O)[C@H](C(=O)O)C1	4651739	IMYVRAUNMDSWDR-CHWSQXEVSA-N	332.356	1.600	50	40	EDGB	
O=C(N/N=C/c1ccc(F)cc1)C(=O)N1CCc2ccccc2C1	408720599	WJOJEHGEAZJTNT-RGVLZGJSSA-N	325.343	1.861	50	40	EDGB	
COC(=O)c1cccc(NC(=S)NNC(=O)c2ccccc2O)c1	134347	OMTOXKFWMNXLQV-UHFFFAOYSA-N	345.380	1.810	50	40	EDGB	
COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)cc1	7784963	JUHZCIXTRAPLKR-UDWIEESQSA-N	341.367	1.470	50	40	EDGB	
COc1ccc(C(=O)N/N=C(/C)CC(=O)N2CCOCC2)cc1OC	7036539	NRSOQUORLUTLPH-PDGQHHTCSA-N	349.387	1.058	50	40	EDGB	
Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C/c1cc(Cl)ccc1O	408974777	GYMCRGGGCJSGHR-FZSIALSZSA-N	337.723	1.609	50	40	EDGB	
O=C(NNS(=O)(=O)c1cc([N+](=O)[O-])cs1)c1ccccc1	40548971	HQILMHRAPKMQPN-UHFFFAOYSA-N	327.343	1.280	50	40	EDGB	
C/C(CC(=O)NC(C)(C)C)=N\NC(=O)C(=O)Nc1ccccc1C	5509334	GXMOXHBMQAEHLN-UDWIEESQSA-N	332.404	1.730	50	40	EDGB	
COC(=O)c1ccc(/C=N/NC(=O)CCc2c(O)n[nH]c2C)cc1	55742	STZNLEZJISDMNC-RQZCQDPDSA-N	330.344	1.293	50	40	EDGB	
CC(C)(C)OC(=O)NNC(=O)C1CCN(C(=O)C(C)(C)C)CC1	60526340	YRVMIXFBQVTWND-UHFFFAOYSA-N	327.425	1.827	50	40	EDGB	
CC[C@H](C)NC(=O)C/C(C)=N/NC(=O)COc1ccc(OC)cc1	4387207	KUIVGWNMEIRNFC-NHLWYUBBSA-N	335.404	1.871	50	40	EDGB	
N#C/C(=C\C1=Cc2ccccc2OC1)C(=O)NCCN1CCOCC1	24117438	JKNXFVJBHGMDID-SFQUDFHCSA-N	339.395	1.361	50	40	EDGB	
C=CCSC1=C(C#N)[C@@H](c2cccnc2)[C@H](C(=O)OC)C(=O)N1	14671753	NTPBEJZQBUAQBN-OLZOCXBDSA-N	329.381	1.739	50	40	EDGB	
COc1cccc(C(=O)N/N=C\c2ccc(OCC(N)=O)cc2)c1	32706862	SXTLVAJIQRVWEE-GRSHGNNSSA-N	327.340	1.323	50	40	EDGB	
COc1ccc(C(=O)NNC(=O)C(F)(F)F)cc1Br	524908	YNVDSDHBJYSEMG-UHFFFAOYSA-N	341.083	1.781	50	40	EDGB	
COc1ccc([C@@H](C#N)NNC(=O)c2ccccc2O)cc1OC	6411714	HVUNESCUNADGQY-CYBMUJFWSA-N	327.340	1.909	50	40	EDGB	
O=C(CNC(=O)c1cccs1)N/N=C/c1ccc(C(=O)O)cc1	3108912	KMWOUFLMUAYYDF-CAOOACKPSA-N	331.353	1.326	50	40	EDGB	
N#C/C(=C\c1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)o1)C(N)=O	59109313	YNCUQJRFHBLJCH-IZZDOVSWSA-N	326.264	1.735	50	40	EDGB	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O	225586008	AVKVTROIMBJUTG-IDTSFGKNSA-N	348.786	1.553	50	40	EDGB	
Cn1c(=O)n(C)c2cc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)ccc21	37466	HCYGKHQXSAGNCH-MAUPQMMJSA-N	340.383	1.079	50	40	EDGB	
Cc1nc(C(=O)NNC(=O)c2ccco2)nn1-c1ccc(Cl)cc1	12614445	MSHIHKCRNOXCST-UHFFFAOYSA-N	345.746	1.897	50	40	EDGB	
COc1ccc([C@H](C)NC(=O)C(=O)N/N=C/c2ccccc2O)cc1	59516238	WXBYRNSCMJZMRU-MKFNJMOCSA-N	341.367	1.728	50	40	EDGB	
CCOc1ncccc1C(=O)NNC(=O)COc1ccc(Cl)cc1	14069632	IINBXLUYPRIKTA-UHFFFAOYSA-N	349.774	1.974	50	40	EDGB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C2\CCCN2)c1	5573789	VOZDNGHIIZXRPC-UHFFFAOYSA-N	338.433	1.144	50	40	EDGB	
CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(NC(=O)CCl)cc21	408531129	NHCVNEADWYVEQV-UHFFFAOYSA-N	326.740	1.928	50	40	EDGB	
CC[C@H](C(=O)N/N=C/c1cnn(CC)c1F)n1cc([N+](=O)[O-])cn1	252489754	JZFAPJUFEAOMLK-WFWRNDJQSA-N	337.315	1.248	50	40	EDGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1	3057567	LYAKKNRXBHJVNO-LICLKQGHSA-N	342.311	1.692	50	40	EDGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccco2)S(C)(=O)=O)cc1	19954571	XXDWCYNCFLQUEK-MHWRWJLKSA-N	335.385	1.504	50	40	EDGB	
CCOc1cccc(/C=N/NC(=O)[C@H](N)Cc2ccc(O)cc2)c1O	1576702	WCIVWAFEQRECEZ-PZUDMAOCSA-N	343.383	1.517	50	40	EDGB	
C/C=C/Cn1c(=O)c2c(nc3n(CCCl)c(C)cn23)n(C)c1=O	10104386	VWSVHDYYCGBVDY-SNAWJCMRSA-N	335.795	1.273	50	40	EDGB	
O=C(NNC(=O)c1cccnc1N1CCCC1)c1ccccc1F	21742824	YXLMJGMSUOWAFO-UHFFFAOYSA-N	328.347	1.896	50	40	EDGB	
COc1ccc(CC(=O)N/N=C/c2ccc(O)c(O)c2)cc1OC	507821	OBQKCAPRCJEPTH-VCHYOVAHSA-N	330.340	1.808	50	40	EDGB	
COC(=O)c1c(NC(=O)CCl)sc2c1[C@H](C(=O)OC)CC2	4038552	SQKHIHFBQDCIFM-ZCFIWIBFSA-N	331.777	1.915	50	40	EDGB	
N#CCC(=O)N/N=C/c1cc(Br)c(N2CCOCC2)o1	59248058	TXQVNYZGUXHMAQ-OVCLIPMQSA-N	341.165	1.242	50	40	EDGB	
CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccncc2)cc1	59434190	FLZQQTDQOBQEEP-YBFXNURJSA-N	340.339	1.347	50	40	EDGB	
COc1ccc(/C=N/NC(N)=O)cc1OS(=O)(=O)c1ccccc1	408886285	JRYQBOUBKULQDN-LICLKQGHSA-N	349.368	1.465	50	40	EDGB	
O=C(CCl)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1	13689499	ZKYCMLQDQOHVIC-FKFYSAAKSA-N	344.845	1.527	50	40	EDGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)c(F)c1	408964614	CXUYSNKGCDBVCN-AWQFTUOYSA-N	341.298	1.925	50	40	EDGB	
CC1=C2CC[C@@H](C)CC23[C@H]2C(=O)OC(=O)[C@@H]2C1[C@H]1C(=O)OC(=O)[C@@H]13	95749413	RCLQIVSRMJYTOM-OOWVXTAPSA-N	330.336	1.384	50	40	EDGB	
CCS(=O)(=O)N1CCC[C@@H](C(=O)N/N=C/c2ccc(F)s2)C1	252484123	FPDATMIEAPXNTM-XBLUXWHVSA-N	347.437	1.399	50	40	EDGB	
C[C@H](NC(=O)C(=O)N/N=C/c1ccccc1C(=O)O)c1ccccc1	59444313	KLYXANQHLYIISI-MKFNJMOCSA-N	339.351	1.712	50	40	EDGB	
CCNC(=S)NNC(=O)CSc1nc2ccccc2s1	1826603	KZNKCBQUDSFITJ-UHFFFAOYSA-N	326.472	1.904	50	40	EDGB	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc[nH]c2=O)cc1	12983768	SEWNAIXMRRLPHP-LLVKDONJSA-N	345.355	1.002	50	40	EDGB	
O=C(NN=C1c2ccccc2-c2ccccc21)[C@H]1CCS(=O)(=O)C1	7324190	UTMNCQDGTQTAOE-LBPRGKRZSA-N	340.404	1.970	50	40	EDGB	
COC(=O)CNC(=O)NNC(=O)C(c1ccccc1)c1ccccc1	95468404	UJEMSZYIVZQCIJ-UHFFFAOYSA-N	341.367	1.322	50	40	EDGB	
Cc1ccc(S(=O)(=O)n2c(C)c(B(O)O)c3ccccc32)cc1	199488046	QIDCAENQCHBRFP-UHFFFAOYSA-N	329.186	1.175	50	40	EDGB	
O=C1NC[C@@H](C(=O)NNc2cnc3ccccc3n2)c2ccccc21	1624832210	BBCSVZGLTSIBKP-CYBMUJFWSA-N	333.351	1.600	50	40	EDGB	
COC(=O)CN(CCCl)[P@@]1(=O)OCCCN1CCCl	95570325	SBIKMQFSAKGUGQ-IBGZPJMESA-N	333.152	1.769	50	40	EDGB	
CCOC(=O)c1sc(NC(=O)NNC(C)=O)nc1C(F)(F)F	585119561	KZWOWJKWJKSJRE-UHFFFAOYSA-N	340.283	1.511	50	40	EDGB	
C/C(=N\NC(=O)Cc1nc2ccccc2n1C)c1csc(N)n1	32869058	TXVQCCZMUIIEFZ-DJKKODMXSA-N	328.401	1.695	50	40	EDGB	
CCCc1n[nH]c2c1[C@]1(C(=O)Nc3cccc(C)c31)C(C#N)=C(N)O2	8721228	JRSVOYBKCFQGSZ-SFHVURJKSA-N	335.367	1.995	50	40	EDGB	
COc1cccc(C(=O)N/N=C\c2ccccc2OCC(N)=O)c1	409267763	OYOCDPRDUWOYTO-GRSHGNNSSA-N	327.340	1.323	50	40	EDGB	
CCCC(=O)NNC(=S)NCCc1ccc(OC)c(OC)c1	6397300	GUQHPSFOXKJVOE-UHFFFAOYSA-N	325.434	1.542	50	40	EDGB	
CC(C)c1n[nH]c2c1[C@]1(C(=O)N(C)c3ccccc31)C(C#N)=C(N)O2	4631628	MFRBXIJBWVLUBA-GOSISDBHSA-N	335.367	1.882	50	40	EDGB	
CCOc1ccc(N(C(=O)CCl)[C@H]2C=CS(=O)(=O)C2)cc1	7952308	JXNZXAOJENUQRR-LBPRGKRZSA-N	329.805	1.968	50	40	EDGB	
Cc1cccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1	68933313	IVICHPPDVIMLLT-HNNXBMFYSA-N	337.379	1.809	50	40	EDGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccco2)S(C)(=O)=O)c1C	408922622	PPUYTUFLBTYYBX-LICLKQGHSA-N	349.412	1.813	50	40	EDGB	
Cc1nn(C)c(F)c1/C=N/NC(=O)c1n[nH]cc1Br	252507743	WTJMACMPZWTDNC-QLKAYGNNSA-N	329.133	1.117	50	40	EDGB	
COc1ccc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])c(O)c1	150402	QOUJDGZGEHFMGJ-RQZCQDPDSA-N	345.311	1.838	50	40	EDGB	
O=C(Cn1nnc2ccccc21)NNC(=S)NCc1ccccc1	383359	SHFZLOHVSZBBNK-UHFFFAOYSA-N	340.412	1.127	50	40	EDGB	
O=C(CC(=O)N/N=C\c1ccccc1[N+](=O)[O-])NCc1ccccc1	4905616	BIBXKOOZTYLMHY-UNOMPAQXSA-N	340.339	1.751	50	40	EDGB	
CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N/Nc1cccc2ccccc12	101566412	WIOYNEXJPOBROH-OQKWZONESA-N	348.362	1.809	50	40	EDGB	
CCOc1cc(/C=N\NC(=O)c2cccnc2)ccc1OCC(N)=O	33424876	NGYJVRYTHYFJHZ-UKWGHVSLSA-N	342.355	1.108	50	40	EDGB	
C[C@@H](C(=O)NNC(=O)[C@H]1C(=O)Nc2ccccc2C1=O)C(C)(C)C	585087882	ZLYLNZXXJAUQDY-JOYOIKCWSA-N	331.372	1.267	50	40	EDGB	
CO[Si](CCc1ccccc1S(=O)(=O)N[N+]#N)(OC)OC	255189884	SUUCHTGLHUJZLR-UHFFFAOYSA-N	332.434	1.154	50	40	EDGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(N)=O)c(N3CCCCC3)nc12	552726	JUJVMJHZCTWLQD-JLHYYAGUSA-N	337.383	1.386	50	40	EDGB	
COc1cc(C)c(CN2CCN(C(=O)CCl)CC2)cc1OC	20268197	QIYZREYAXBOCII-UHFFFAOYSA-N	326.824	1.895	50	40	EDGB	in-vitro
O=C(N/N=C/c1ccc[nH]1)c1c(O)c2cccc3c2n(c1=O)CCC3	100912483	QHADSDURELEVBN-KEBDBYFISA-N	336.351	1.745	50	40	EDGB	
CCn1nc(C)c(/C=N/NC(=O)c2nc3nc(C)cc(C)n3n2)c1C	508174	XSDQJJMMGQZIRT-CAOOACKPSA-N	340.391	1.338	50	40	EDGB	
CCc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(CC(=O)OC)c32)cc1	8680782	MAXRLMQGJHWTLO-OAHLLOKOSA-N	338.367	1.906	50	40	EDGB	
COC(=O)c1cc(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)oc1C	11298406	SJBMFXRIUDGYOQ-WEVVVXLNSA-N	328.332	1.272	50	40	EDGB	
CCNC(=O)C/C(C)=N/NC(=O)c1ccc([N+](=O)[O-])cc1Cl	4565008	FXIBWQXTZIWYRL-LZYBPNLTSA-N	326.740	1.880	50	40	EDGB	
COc1ccc2c(c1OC)C(=O)O[C@@H]2NNC(=O)c1ccccc1	517702	PBGKFIDUHMSXSF-INIZCTEOSA-N	328.324	1.807	50	40	EDGB	biogenic
COC1=CC(=O)C([C@@H](C)c2ccc(OC)cc2)=C/C1=N/NC(N)=O	104227086	KRSQYVABVBHTPJ-NSYNCBPISA-N	329.356	1.862	50	40	EDGB	
N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)NC[C@H]1CCCO1	408734710	IRNFZGYXSGZBEQ-KBVBDRTLSA-N	345.311	1.526	50	40	EDGB	
CCCCNC(=O)CCC(=O)NNC(=O)Cn1ccc2ccccc21	199425796	OGRTZJSWUOCJRB-UHFFFAOYSA-N	344.415	1.485	50	40	EDGB	
CCc1ccc(/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)cc1	6542854	GQXJWBMCDZIWKP-LDADJPATSA-N	345.424	1.678	50	40	EDGB	
COc1cc(/C=N/NC(N)=O)ccc1OS(=O)(=O)c1ccccc1	58822667	UMHPNRXORFZVKZ-LICLKQGHSA-N	349.368	1.465	50	40	EDGB	
COCc1n[nH]c2c1[C@@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2	6239232	ATZQUCCUGNUQJG-AWEZNQCLSA-N	342.355	1.791	50	40	EDGB	
CCNC(=S)NNC(=O)[C@H](NC(=O)c1ccccc1F)C(C)C	9355882	FGMDRSQQDJEGTN-GFCCVEGCSA-N	340.424	1.095	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccccc1-c1ccccc1)[C@H]1CCCO1	71818107	LSDSSFJNICLLPH-OAHLLOKOSA-N	346.408	1.842	50	40	EDGB	
O=C(NNC(=O)[C@H]1[C@H]2C(=O)O[C@H]3C[C@H]1C[C@@H]32)c1ccccc1Cl	408673631	XGDFTTURTGCYSB-PTJOTIOASA-N	334.759	1.299	50	40	EDGB	
CCS(=O)(=O)[C@H](I)[C@@H](O)c1ccccc1	96519230	BCIDBLRQXIDWMQ-UWVGGRQHSA-N	340.182	1.916	50	40	EDGB	
O=C(NNC(=O)c1cccs1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	12572844	GCXNAIZGXASHNZ-UHFFFAOYSA-N	336.285	1.639	50	40	EDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(F)cc1)c1ccccc1	19953990	HQIPZDFQEIETTM-WOJGMQOQSA-N	349.387	1.742	50	40	EDGB	
O=C(CN1C(=O)c2ccccc2C1=O)NNc1ncnc2ccccc12	24841874	PUZQXCTWSDEHDK-UHFFFAOYSA-N	347.334	1.369	50	40	EDGB	
CCOC(=O)/C(C#N)=C(\O)c1ccc(NC(=O)CCC(=O)O)cc1	100207607	ABSFZMPGUJZMDE-QINSGFPZSA-N	332.312	1.846	50	40	EDGB	
COCCCNC(=S)NNC(=O)C12CC3CC(CC(C3)C1)C2	6228969	SRQRTMQYCJGYBD-UHFFFAOYSA-N	325.478	1.735	50	40	EDGB	
O=C1[C@H]2[C@H]3C[C@H]4[C@H]([C@H](Br)C(=O)[C@@H]24)[C@H]3[C@H]1Br	195528822	ASRUXQHQIUKJHH-RMMQRBIZSA-N	334.007	1.793	50	40	EDGB	
CCn1ncc(/C=N/NC(=O)c2cc(C(F)(F)F)nn2C)c1F	252500297	SRPOXGDIGGZFNI-YAXRCOADSA-N	332.261	1.558	50	40	EDGB	
C[C@H]1C[C@H]1C(=O)NCCC(=O)NNc1c(F)c(F)nc(F)c1F	31491310	FFNXQPWPDCBDSB-NTSWFWBYSA-N	334.273	1.243	50	40	EDGB	
COc1ccc(O)c(/C=N/NC(=O)[C@H](C)n2nnc3ccccc32)c1	174571	VXIZJWGBBYAAPU-HPAYWCODSA-N	339.355	1.857	50	40	EDGB	
O=C(NNC(=O)c1c[nH]c2ccc(Cl)cc2c1=O)c1ccco1	20735096	YEUJCQXTLCMKFJ-UHFFFAOYSA-N	331.715	1.849	50	40	EDGB	
O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1	2747186	OPAWBRHZNVOUOG-UHFFFAOYSA-N	330.256	1.578	50	40	EDGB	
O=C(NNS(=O)(=O)c1cccnc1)c1ccc2ccccc2n1	71280319	PBSLRQFWYZFJBA-UHFFFAOYSA-N	328.353	1.253	50	40	EDGB	
C/C(=N/NC(=O)Cn1nc2ccccc2n1)c1ccc([N+](=O)[O-])cc1	5369605	DPUZOKYLNOACRX-BOPFTXTBSA-N	338.327	1.880	50	40	EDGB	
CCOc1cc(/C=N/NC(C)=O)cc(I)c1O	4545347	BUPIBLDTINBHPT-AWNIVKPZSA-N	348.140	1.866	50	40	EDGB	
COC(=O)c1ccc(N(C(=O)CCl)[C@@H]2CCS(=O)(=O)C2)cc1	40177608	YLFCASQGFIRGCW-GFCCVEGCSA-N	345.804	1.232	50	40	EDGB	
CCOC(=O)NNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1C	585119295	ASAGXVOMNHCOGF-UHFFFAOYSA-N	337.741	1.496	50	40	EDGB	
O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2	35979581	ORDROWNEHABZGC-RQZCQDPDSA-N	343.295	1.836	50	40	EDGB	
CCOC(=O)NNC(=O)CCS(=O)(=O)c1ccc(Cl)cc1	31482585	GCFQFJBXNLQKPV-UHFFFAOYSA-N	334.781	1.281	50	40	EDGB	
Cc1cccc(C(=O)NNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	234941	YOIUBXDCUOYJFP-UHFFFAOYSA-N	335.341	1.527	50	40	EDGB	
O=C(CCCC(=O)N/N=C\c1ccccn1)N/N=C\c1ccccn1	4647175	FLWQNBAFWTXYIC-FDYZEBBJSA-N	338.371	1.247	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)C2=NO[C@H](c3ccccc3)C2)c(O)c1	55314553	MKPLFFMOWATFGQ-INIZCTEOSA-N	339.351	1.979	50	40	EDGB	
COc1ccc(C(=O)NNc2ncnc3c2cnn3C)cc1OC	486295	NBQGUTOUPWCGDN-UHFFFAOYSA-N	328.332	1.137	50	40	EDGB	biogenic
COc1ccc(C)cc1S(=O)(=O)NNC(=O)c1ccccc1O	7419103	LPQCHUQJADLGQP-UHFFFAOYSA-N	336.369	1.333	50	40	EDGB	
COc1ccccc1OCC(=O)NNC(=O)c1cccc(N(C)C)c1	9592898	RESMDVWNFULRLH-UHFFFAOYSA-N	343.383	1.601	50	40	EDGB	
Cc1ccc(S(=O)(=O)NCc2ccc(/C=C(/C#N)C(N)=O)o2)cc1	330928	UAHOMACAMOOBMZ-WQLSENKSSA-N	345.380	1.459	50	40	EDGB	
O=C(N/N=C/c1ccncc1)c1c(O)n2c3c(cccc3c1=O)CCC2	1254360	NXFKNZFGSDMDST-SRZZPIQSSA-N	348.362	1.812	50	40	EDGB	
CC1=C(C#N)C(=O)NC(=O)/C1=C\c1c(C)nn(-c2ccccc2)c1O	18037580	BMOXYTGPOJOOCY-JYRVWZFOSA-N	334.335	1.766	50	40	EDGB	
C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)[C@H]1C[C@H]1c1ccccc1	5494621	LLCIHDGROZEXKW-AHTQIVJMSA-N	328.332	1.482	50	40	EDGB	
CCc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)NC(C)C)cc1	4416572	QRURZHHNIBFZGE-UDWIEESQSA-N	332.404	1.594	50	40	EDGB	
COc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)NN)cc1	553881	FUWFPSBMQILPQH-HNNXBMFYSA-N	328.372	1.418	50	40	EDGB	
O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1cccc(Cl)c1Cl	59382012	VZRTYIQCXLCHMI-DSSNYXJPSA-N	344.198	1.739	50	40	EDGB	
COCCOc1cccc(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)c1	53106609	RUMUATFBOQXUQI-UKTHLTGXSA-N	340.387	1.609	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)CN2CCc3sccc3C2)s1	58859833	HHEZFGYJUJUXTM-UHFFFAOYSA-N	335.454	1.937	50	40	EDGB	
O=C(CCl)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1	13689501	ZKYCMLQDQOHVIC-NUCGBIJZSA-N	344.845	1.527	50	40	EDGB	
CCCCCCC(=O)NN/C=C1\C(=O)N=C(S)N(C2CC2)C1=O	6264012	SOJQPAFXMIPSOX-PKNBQFBNSA-N	338.433	1.279	50	40	EDGB	
C[C@H](C(=O)N/N=C/c1ccccc1)N(c1ccccc1)S(C)(=O)=O	408906398	BHJZARSALPZZFW-QFGUUYLXSA-N	345.424	1.991	50	40	EDGB	
CC(=O)N1CCN(c2ccc(N3C[C@H](C(=O)Cl)CC3=O)cc2)CC1	45957345	QEJPLNDQMZADCU-CYBMUJFWSA-N	349.818	1.473	50	40	EDGB	
CC(C)N1CCC[C@H](C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1	1616038825	RHRBUDKWWNKLFA-ZDUSSCGKSA-N	334.376	1.476	50	40	EDGB	
NNC(=O)Cn1c2c(sc1=O)[C@@H]1c3ccccc3OC[C@H]1CS2	15087896	BNVUSVIINPEGSJ-UFBFGSQYSA-N	349.437	1.146	50	40	EDGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)c1cccnc1	222176	XBBPYTCIUUEUHZ-RQZCQDPDSA-N	330.300	1.771	50	40	EDGB	
CN(CC(=O)N/N=C/c1ccc(O)cc1)S(=O)(=O)c1ccccc1	6544442	ZCTNABYQGKLZRP-GZTJUZNOSA-N	347.396	1.163	50	40	EDGB	
O=C(NNC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O)c1ccc(Cl)cc1	101595045	ZHLDZBFPGAIYNY-UKJIMTQDSA-N	336.775	1.848	50	40	EDGB	
O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1c(F)cccc1Cl	3085287	GFUCUCLKLOMBNX-ZBPACCJBSA-N	327.743	1.224	50	40	EDGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(O)c1	58884851	DSYXSVSGEPKQGH-WOJGMQOQSA-N	327.340	1.880	50	40	EDGB	
O=C(COC(=O)c1ccc(Cl)cc1)NNC(=O)c1ccccc1	3300658	HHMZIXCHTOWUIH-UHFFFAOYSA-N	332.743	1.958	50	40	EDGB	
COc1ccc(CC(=O)N/N=C2\C(=O)Nc3ccccc32)cc1OC	5911159	DUFNHZOULQTZSG-UHFFFAOYSA-N	339.351	1.719	50	40	EDGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(Br)c1	408973166	ZKGIATBDDCBLOZ-KOLYXTFFSA-N	326.194	1.814	50	40	EDGB	
Nc1c(C(=O)CCl)c(=O)[nH]c(=O)n1Cc1ccccc1Cl	72415063	CAFSFDBZQPCKGT-UHFFFAOYSA-N	328.155	1.242	50	40	EDGB	
COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2cccc(F)c2)cc1	223161438	IRKMNVXTYGURNY-GRSHGNNSSA-N	343.314	1.701	50	40	EDGB	
O=C(Nc1nc2ccccc2s1)N[C@H]1CS(=O)(=O)C[C@H]1Cl	575424413	LARLOCXXIHYURA-APPZFPTMSA-N	345.833	1.822	50	40	EDGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1O	3057705	XQLLYAAUMWKTDK-YBFXNURJSA-N	327.340	1.167	50	40	EDGB	
COc1ccc(OCC(=O)NNC(=O)c2cccc(OC)c2)cc1	3553354	DBNKODSHHRJXOX-UHFFFAOYSA-N	330.340	1.544	50	40	EDGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(Br)cc1	7782264	GFKPRAFFFHZCGX-HVIDBACLSA-N	326.194	1.814	50	40	EDGB	
O=S1(=O)C[C@@H](Cl)[C@@H](NC(=S)OC(CCl)CCl)C1	59568402	KPERORHPYMECFR-RQJHMYQMSA-N	340.681	1.128	50	40	EDGB	
N#CCCCN1C(=O)/C(=N/NC(=O)c2ccccn2)c2ccccc21	6231323	YVRMMCGSSYJNAW-LTGZKZEYSA-N	333.351	1.866	50	40	EDGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(OCC(N)=O)cc2)c(F)c1	408963838	AZAGNMSNRKVGCS-ZVBGSRNCSA-N	340.314	1.325	50	40	EDGB	
COc1cc(/C=N/NC(=O)c2cccnc2)ccc1O[C@H](C)C(=O)O	409009853	AARPYGMPNAXSSM-YXZFXQPTSA-N	343.339	1.706	50	40	EDGB	
CCn1ncc(/C=N/NC(=O)c2cc(C)nc3onc(C)c23)c1F	252498548	RELIAEVMJDHNJR-UBKPWBPPSA-N	330.323	1.959	50	40	EDGB	
CC(=O)NNc1nc(C)c(/C(C)=N/NC(=O)c2ccncc2)s1	5678663	VWGGPRXIOIJSPS-RQZCQDPDSA-N	332.389	1.464	50	40	EDGB	
COc1ccccc1OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	510835	IURYTGLMROYCJY-UHFFFAOYSA-N	345.311	1.443	50	40	EDGB	
COC(=O)CN1C(=O)C(=C(C#N)C#N)c2cc(Br)ccc21	1320714	SZYQPYCGIXXDPY-UHFFFAOYSA-N	346.140	1.769	50	40	EDGB	
CNc1snc(C)c1C(=O)NNC(=O)COc1cc(C)cc(C)c1	12986580	TVNHZIJNGLWPDJ-UHFFFAOYSA-N	348.428	1.950	50	40	EDGB	
N#C/C(=C\c1cccc(OCC(=O)O)c1)C(=O)NCc1ccco1	408837755	MXKBTTNKARWWEX-NTUHNPAUSA-N	326.308	1.966	50	40	EDGB	
NNC(=O)c1cnc(COc2ccc(Cl)cc2)nc1N1CCCC1	223460757	GZFLVKBYIKBTNH-UHFFFAOYSA-N	347.806	1.913	50	40	EDGB	
CC[N+](CC)=C1S[C@H]2CS(=O)(=O)[C@H](Br)[C@@H]2S1	5247808	FVJBSQVZXZYAQQ-RNJXMRFFSA-N	345.329	1.761	50	40	EDGB	
CCOC(=O)c1cc2cc(C(=O)NNC(=O)[C@H]3CCCO3)ccc2[nH]1	32261208	HIQPTGROXGOPLA-CQSZACIVSA-N	345.355	1.285	50	40	EDGB	
NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1	3166482	PLCJGCXNCRTLAC-UHFFFAOYSA-N	325.777	1.744	50	40	EDGB	
COC(=O)CSC1=C(C#N)[C@H](c2ccccc2[N+](=O)[O-])CC(=O)N1	4156158	QRPDWFZQLXMCQG-JTQLQIEISA-N	347.352	1.840	50	40	EDGB	
O=C(Cc1c(F)cccc1Cl)N[C@H]1CS(=O)(=O)C[C@@H]1Cl	9577328	BEKFLCCBKDRBQY-ONGXEEELSA-N	340.203	1.542	50	40	EDGB	
O=C(Cn1cnc2ccccc21)NNC(=O)c1ccc2c(c1)CCC2	17404630	ZQQYKOPABQODAK-UHFFFAOYSA-N	334.379	1.986	50	40	EDGB	
O=C(CCl)N(c1ccc(Cl)cc1)[C@H]1CS(=O)(=O)C[C@H]1O	40177677	XQYGMWNCONMLBV-WDEREUQCSA-N	338.212	1.070	50	40	EDGB	
NC(=O)COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	15144846	GJYQVUVVLBBBIE-GIJQJNRQSA-N	342.311	1.223	50	40	EDGB	
C/C(N)=C(\C#N)C(=O)CSc1nnnn1-c1ccc(C)cc1C	96445817	ZCWJLNIOYJVIQW-QXMHVHEDSA-N	328.401	1.697	50	40	EDGB	
Cc1ccccc1C(=O)[C@@H](I)S(C)(=O)=O	96517928	JNLBFIGQFXSVJT-JTQLQIEISA-N	338.166	1.983	50	40	EDGB	
N#C/C(=C\c1cccc(O)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	287112	OTYVHOXNGASPFS-XYOKQWHBSA-N	343.364	1.585	50	40	EDGB	
CCOC(=O)c1cc2cc(C(=O)NNC(=O)[C@@H]3CCCO3)ccc2[nH]1	32261207	HIQPTGROXGOPLA-AWEZNQCLSA-N	345.355	1.285	50	40	EDGB	
COc1ccc(/C=N/NC(=O)[C@H](C)NC(=O)c2ccccc2)cc1	1878957	YSZKDNKFRCUIST-HCZVKUGISA-N	325.368	1.964	50	40	EDGB	
CCCCC(=O)NN/C(C)=C1\C(=O)NC(=O)N(c2ccccc2)C1=O	9242481	TZBCTYQLRNHGKS-SDNWHVSQSA-N	344.371	1.354	50	40	EDGB	
C/C(=N\NC(=O)CNC(=O)[C@@H]1COc2ccccc2O1)c1ccco1	4833625	XBGOHECTZPXMRK-BKQORJHRSA-N	343.339	1.076	50	40	EDGB	
C[C@]1(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1(Cl)Cl	68970118	MASIKPDNFGHARY-ZWNOBZJWSA-N	345.182	1.558	50	40	EDGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])c(O)c1)c1ccc2c(c1)OCCO2	36020380	DQIBZFXQCTVHGX-RQZCQDPDSA-N	343.295	1.836	50	40	EDGB	
ICC1(CI)COC1	4087751	JRMFTYIUHNPQQY-UHFFFAOYSA-N	337.926	1.873	50	40	EDGB	
C#CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3[nH]nc(C)c32)c2ccccc21	6785684	VGDPYQSIKRQZHZ-SFHVURJKSA-N	331.335	1.070	50	40	EDGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1[nH]ncc1Br	247298	MBOYDUZSCSNUQL-WLRTZDKTSA-N	338.121	1.844	50	40	EDGB	
COc1cc(/C=N/NC(=O)CC#N)ccc1OC(=O)c1ccco1	3313142	JLZGBCVYHFFCEI-VCHYOVAHSA-N	327.296	1.871	50	40	EDGB	
Cn1cccc1C(=O)NNS(=O)(=O)c1ccc2ccccc2c1	21632726	WXFYIQCOEJXCNG-UHFFFAOYSA-N	329.381	1.802	50	40	EDGB	
CCCCCCOc1ccc(C(=O)NNC(=O)CNC(N)=O)cc1	53575973	LLUIMBKCRFHNGY-UHFFFAOYSA-N	336.392	1.075	50	40	EDGB	
O=C(NNC(=O)[C@H]1CCCC[C@@H]1C(=O)O)c1cccc([N+](=O)[O-])c1	2774767	RESXJRSBBIFSMA-RYUDHWBXSA-N	335.316	1.247	50	40	EDGB	
CCOC(=O)/C(C#N)=C/NCc1cccc(NC(=O)[C@H]2CCCO2)c1	63441976	GSRGDVWAGYFCDA-WCRPCQDQSA-N	343.383	1.864	50	40	EDGB	
COc1cccc(-c2nc(C)cc(N3CCC[C@@H](C(=O)NN)C3)n2)c1	223466276	LRFJPIZSAJNGOI-CQSZACIVSA-N	341.415	1.667	50	40	EDGB	
CCn1ncc(/C=N/NC(=O)[C@H](C)n2cc([N+](=O)[O-])c(C)n2)c1F	252510046	ZAQYFXUTWLYMLE-XDDINVHESA-N	337.315	1.167	50	40	EDGB	
COc1cc(/C=N/NC(=O)c2nc3nc(C)cc(C)n3n2)ccc1O	195978	TUXNDODCGXOCDL-CAOOACKPSA-N	340.343	1.219	50	40	EDGB	
COc1cccc(/C=N/NC(=O)CSc2nncn2C)c1OC	533437	FMZBPUSYZGVOTH-VIZOYTHASA-N	335.389	1.075	50	40	EDGB	
COc1ccc(/C=N/NC(=O)C(=O)N2CCCCCC2)c(OC)c1	59459704	SNGNQYJCNQJOBF-LDADJPATSA-N	333.388	1.557	50	40	EDGB	
NNC(=O)[C@H]1CN(C(=O)c2ccc(Cl)cc2)c2ccccc2O1	225330188	KDIMEWYRTNNRGW-CQSZACIVSA-N	331.759	1.738	50	40	EDGB	
Cc1[nH]nc2c1[C@@]1(C(=O)Nc3ccc(Cl)cc31)C(C#N)=C(N)N2	585145648	OUJRSNFFZXZEGJ-HNNXBMFYSA-N	326.747	1.729	50	40	EDGB	
O=C(N/N=C/c1ccco1)c1ccc(C(=O)N/N=C/c2ccco2)o1	370011	VLIVNEKBOTWJJM-BEQMOXJMSA-N	340.295	1.993	50	40	EDGB	
COC(=O)CSC1=C(C#N)[C@H](c2cccc(OC)c2)CC(=O)N1	9015087	BFYRUYKJNSQQER-LBPRGKRZSA-N	332.381	1.940	50	40	EDGB	
O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1	43776033	ATMLLYKKANTMOG-OVCLIPMQSA-N	330.256	1.973	50	40	EDGB	
CCOC(=O)NNP(=O)(NNC(=O)OCC)c1ccccc1	1734999	DDJFMVGOFNKFKL-UHFFFAOYSA-N	330.281	1.006	50	40	EDGB	
COc1ccc2c(c1OC)C(=O)O[C@H]2NNC(=O)c1ccccc1F	5375435	JXVANSPYPITYQW-MRXNPFEDSA-N	346.314	1.947	50	40	EDGB	
Cc1cc2c(c(=O)n1CCO)[C@H](c1cccc(F)c1)C(C#N)=C(N)O2	4851054	BCCAKVZPIZRGED-OAHLLOKOSA-N	341.342	1.506	50	40	EDGB	
Cc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C(C)C)o1	2370757	CMMOPYHZQSSZQU-OMCISZLKSA-N	344.335	1.021	50	40	EDGB	
COc1ccc(/C(C)=N/NC(=O)CNC(=O)c2ccco2)cc1OC	5171013	QVPQQDAMDHNOML-YBFXNURJSA-N	345.355	1.567	50	40	EDGB	
CCCCC(=O)NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3	14183715	FHUCGDVEISIZQX-UHFFFAOYSA-N	328.372	1.294	50	40	EDGB	
CCn1ncc(/C=N/NC(=O)[C@@H](C)n2nc([N+](=O)[O-])cc2C)c1F	252500834	TWECUFYIPFPYNQ-UXWFALKESA-N	337.315	1.167	50	40	EDGB	
O=C(CCNC(=O)c1ccccc1)N/N=C/c1ccc(O)cc1O	2675756	MYFXMEKYHCVMAZ-YBFXNURJSA-N	327.340	1.368	50	40	EDGB	
CC(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1	4977069	USJUFFJYKDUOFR-UHFFFAOYSA-N	327.409	1.860	50	40	EDGB	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@@H]1CC1(Cl)Cl	25465198	ONBLWEFJZFOYFJ-OIBJUYFYSA-N	331.155	1.168	50	40	EDGB	
CSCC[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)NN	2575196	FGDPUEBTKXFHNW-JTQLQIEISA-N	335.351	1.547	50	40	EDGB	
CCOc1ccc(C(=O)NNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1	13253006	IWAGLXIQGISQNY-KGLIPLIRSA-N	332.356	1.513	50	40	EDGB	
CCCc1c(C(=O)N/N=C/c2cccs2)nnn1-c1nonc1N	9307067	WPMHVUWYABRVPR-VIZOYTHASA-N	346.376	1.010	50	40	EDGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCC(=O)O)c(OC)c1	408808472	JBJZLJDIJQCEED-ZTFCMROMSA-N	332.356	1.980	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)s1	67763270	GXOCWRCAEJWZAD-UHFFFAOYSA-N	345.428	1.524	50	40	EDGB	
CC(C)[C@@H](NC(=O)Cc1cccs1)C(=O)N/N=C\c1ccncc1	38206051	NBTIWFLJAZECIO-VXIUPONVSA-N	344.440	1.977	50	40	EDGB	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1cccc2cn[nH]c12	32908206	WGORTPYDNYRLFE-CQSZACIVSA-N	338.323	1.164	50	40	EDGB	
O=C(O)COc1ccccc1/C=N/NC(=O)CCN1CCCCC1	13350620	CJKYZJXVAQMWAS-LDADJPATSA-N	333.388	1.476	50	40	EDGB	
C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1c(O)cc(C)oc1=O	101157945	GGKHLACYLQDHCE-LICLKQGHSA-N	345.311	1.645	50	40	EDGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2C(=O)O)cc1	59444407	JTIQPAHLAPKXHH-VCHYOVAHSA-N	341.323	1.482	50	40	EDGB	
CCc1ccc(C(=O)NNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1	13006546	CDPULXRDBWYMRR-DYVFJYSZSA-N	347.440	1.464	50	40	EDGB	
C[C@H]1[C@@H](C(=O)O)[C@H](C(=O)O)C[C@H](Br)[C@@H]1Br	100149766	ZLBZDHSWWOYOSK-PJEQPVAWSA-N	343.999	1.955	50	40	EDGB	
COc1ccc(N(C(=O)CCl)[C@H]2C=CS(=O)(=O)C2)cc1OC	36108808	DBWRZRJUFPYXRV-NSHDSACASA-N	345.804	1.586	50	40	EDGB	
Cc1occc1C(=O)NNC(=O)C1=NN(c2ccccc2)C(=O)CC1	6661554	HANGHHQWVNKTKN-UHFFFAOYSA-N	340.339	1.532	50	40	EDGB	
Cc1nc2ccccc2n1CC(=O)N/N=C1\C(=O)N(C)c2ccccc21	7735506	JZKLADHDFJTXMB-PYCFMQQDSA-N	347.378	1.842	50	40	EDGB	
CCOC(=O)Oc1ccc(/C=C(\C#N)C(=O)NCCOC)cc1OC	408804630	BDOPDDQGKZYCCL-UKTHLTGXSA-N	348.355	1.900	50	40	EDGB	
O=C(NNC(=O)c1cc(Br)ccc1O)c1ccco1	501072	XOWUACWYXJDRQB-UHFFFAOYSA-N	325.118	1.823	50	40	EDGB	
O=C(Cn1ccc(C(F)(F)F)n1)N/N=C1/C(=O)Nc2ccccc21	103388160	QMEIJODBRSWOHB-UHFFFAOYSA-N	337.261	1.375	50	40	EDGB	
O=C(N/N=C/c1ccccn1)c1c(O)n2c3c(cccc3c1=O)CC2	6000439	WGKBOSICAOZLNP-KEBDBYFISA-N	334.335	1.422	50	40	EDGB	
O=C(Cc1c(F)cccc1Cl)N[C@@H]1CS(=O)(=O)C[C@H]1Cl	9577329	BEKFLCCBKDRBQY-MWLCHTKSSA-N	340.203	1.542	50	40	EDGB	
O=C(COc1c(F)c(F)cc(F)c1F)NNC(=O)c1ccco1	8391029	ITEWPGCUSRTBJB-UHFFFAOYSA-N	332.209	1.676	50	40	EDGB	
COc1ccccc1C(=O)NNC(=O)c1ccc(CN2CCCC2)o1	1543081768	HWKTWMNDZRWRQM-UHFFFAOYSA-N	343.383	1.959	50	40	EDGB	
Cc1nn(C)c(Cl)c1S(=O)(=O)NNC(=O)Nc1ccccc1	2577737	SGWKZHSNPHIFCK-UHFFFAOYSA-N	343.796	1.397	50	40	EDGB	
CC(=O)NNC(=O)CSc1ncnc2sc3c(c12)CCCC3	116581	RLYVRBOVPQABDI-UHFFFAOYSA-N	336.442	1.830	50	40	EDGB	
NC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1	59922205	VDHAHLPWNMFVEP-GIJQJNRQSA-N	342.311	1.223	50	40	EDGB	
CSc1ccc(C(=O)CCC(=O)OCC(=O)NNC(C)=O)cc1	5918445	NHAOWYWFZYXYMV-UHFFFAOYSA-N	338.385	1.082	50	40	EDGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1ccc([N+](=O)[O-])o1	409365925	SJQWGXXSNIFWOU-CXUHLZMHSA-N	331.284	1.652	50	40	EDGB	
Cn1cc(C(=O)NNS(=O)(=O)c2ccccc2F)c2ccccc21	5261824	XKKDGVRTDPABBZ-UHFFFAOYSA-N	347.371	1.941	50	40	EDGB	
CCc1sc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1C	102633193	VNDFMGXCWATZER-ZNIXKSQXSA-N	348.424	1.903	50	40	EDGB	
Cc1ccc(OCC(=O)NNS(=O)(=O)c2ccccc2)c(C)c1	580768	GPXIAEZHAXTVQF-UHFFFAOYSA-N	334.397	1.692	50	40	EDGB	
O=C(NNC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C1CCCC1	95349927	GFALHIHGHZSGKW-KRWDZBQOSA-N	345.424	1.953	50	40	EDGB	
C[C@@H](C(=O)N/N=C/c1ccco1)N(c1ccccc1)S(C)(=O)=O	408906532	GSTJKNGUTJWWHV-JASJWYONSA-N	335.385	1.584	50	40	EDGB	
C[C@@H](Oc1ccc(/C=C(\C#N)C(=O)N2CCOCC2)cc1)C(=O)O	32189278	QBCLBGCVVBUQBJ-HLVNSREUSA-N	330.340	1.304	50	40	EDGB	
COC(=O)C1=CC(=O)O[C@@]1(OO)c1ccc(Br)cc1	73370393	YGVJADOWJUYOJD-GFCCVEGCSA-N	329.102	1.748	50	40	EDGB	
Cc1csc(CC(=O)NNC(=O)CN2c3ccccc3C[C@@H]2C)n1	26462638	ZCWXCJRTUFHRPR-LBPRGKRZSA-N	344.440	1.593	50	40	EDGB	
COc1cccc(/C=N/NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c1O	535777	IBMRAOSJHZVHAS-FRKPEAEDSA-N	347.331	1.273	50	40	EDGB	
CC(C)(C)OC(=O)N1CCN([C@H](C(=O)NN)c2ccccc2)CC1	498050518	KCUOFCOIQIDAEQ-AWEZNQCLSA-N	334.420	1.270	50	40	EDGB	
Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2)cc1C(=O)O	28940141	QHTGDUYQKLBCJW-UHFFFAOYSA-N	334.353	1.317	50	40	EDGB	
CCCCc1ccc(N2C[C@H](C(=O)NNC(=O)C3CC3)CC2=O)cc1	40068919	DPXXQQOBRTYHPR-OAHLLOKOSA-N	343.427	1.940	50	40	EDGB	
O=C(/C=C/c1ccccc1)NC(=S)NNC(=O)c1cccnc1	4950470	SIVXBEYJRWTZEZ-CMDGGOBGSA-N	326.381	1.431	50	40	EDGB	
NC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1	408900264	UNSBOTFFXHFRAU-RQZCQDPDSA-N	328.284	1.816	50	40	EDGB	
Cc1ccc([C@H](O)[C@H](I)S(C)(=O)=O)cc1	96519184	UKXIQKPDVSGOHD-VHSXEESVSA-N	340.182	1.834	50	40	EDGB	
COc1cccc(C(=O)NNS(=O)(=O)c2ccc(Cl)cc2)c1	325239	GFRWFVIGPGJUJO-UHFFFAOYSA-N	340.788	1.972	50	40	EDGB	
O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1ccccc1	4965887	AWVKCDSFHOLILN-UHFFFAOYSA-N	325.372	1.154	50	40	EDGB	
O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/NC(=O)C1[C@H]2CCCC[C@@H]12	18061478	VAFFZMJSLBXIPT-HWYHXSKPSA-N	328.328	1.803	50	40	EDGB	
COC(=O)[C@@H]1/C(=N/NC(=O)CC#N)C[C@@](C)(O)C[C@H]1c1ccccc1	100248870	KJYWBBYLFGJCMQ-OLDVXYQXSA-N	343.383	1.490	50	40	EDGB	
CC(=O)NNC(=S)N/C=C/c1c(C)ccc([N+](=O)[O-])c1[N+](=O)[O-]	8665306	VXJHGCQQFDDNBJ-AATRIKPKSA-N	339.333	1.297	50	40	EDGB	
COC(=O)[C@H](CCC(=O)CCl)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	104095343	PDCJPQZLPKLUPB-SRVKXCTJSA-N	329.780	1.291	50	40	EDGB	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2cc(C)n[nH]2)c1	6493752	FTMRHUYULUSPRS-UHFFFAOYSA-N	330.388	1.990	50	40	EDGB	
CSc1ccc(C(=O)OCC(=O)NNC(=O)c2ccco2)cc1	7412131	AXQSGBWXVRHFFS-UHFFFAOYSA-N	334.353	1.620	50	40	EDGB	
CC(C)COc1ccc(C(=O)NNC(=O)c2ccc(=O)[nH]c2)cc1	16050421	IKPVBORBACYXCJ-UHFFFAOYSA-N	329.356	1.485	50	40	EDGB	
N#CC(C#N)=C(N)[C@]1(C#N)[C@H](c2ccccc2Cl)[C@@]1(C#N)C(N)=O	230288974	HDZWJHMOVMGVLJ-RCBQFDQVSA-N	336.742	1.202	50	40	EDGB	
COc1cc(/C=N/NC(=O)[C@@H](N)Cc2ccc(O)cc2)ccc1O	1576696	CHHJFLAURAZPIA-FVOVHSBVSA-N	329.356	1.127	50	40	EDGB	
C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1	5494610	LLCIHDGROZEXKW-SUDGVTIPSA-N	328.332	1.482	50	40	EDGB	
COc1ccccc1[C@H]1C(C#N)=C(SCC(N)=O)NC(=O)[C@@H]1C#N	2186131	AZEMTNJQXSOTML-QMTHXVAHSA-N	342.380	1.002	50	40	EDGB	
Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NN)cc2)cc1C	108050969	FHXAFRBDXQQTHT-UHFFFAOYSA-N	349.412	1.473	50	40	EDGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)Cn1cncn1	2320516	JZUXHRABFWCVFI-CNHKJKLMSA-N	343.778	1.576	50	40	EDGB	
O=C(NNC(=O)c1nn(-c2ccccc2)c2c1CCC2)c1ccncc1	9155117	UUJNVSBNPTZUFQ-UHFFFAOYSA-N	347.378	1.831	50	40	EDGB	
N#C/C(=C/c1ccc(N2CCOCC2)c(F)c1)C(=O)N1CCOCC1	409134629	SOEPBKLPJBRUMC-PTNGSMBKSA-N	345.374	1.428	50	40	EDGB	
CCOC(=O)NNC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2	31482600	YFCFVULHRIUVAR-UHFFFAOYSA-N	337.420	1.486	50	40	EDGB	
Nc1nnc(CC(=O)N/N=C/c2ccccc2Br)s1	4510879	OXUOZCPUMAIQCO-MKMNVTDBSA-N	340.206	1.576	50	40	EDGB	
CCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1O	59386547	JRDNGAUEKXFLDX-LZYBPNLTSA-N	342.193	1.521	50	40	EDGB	
CNc1ccccc1C(=O)OCC(=O)NNC(=O)c1ccc(C)cc1	9377121	AAVXBDKLBWSTDH-UHFFFAOYSA-N	341.367	1.655	50	40	EDGB	
COc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OC(C)=O	408752198	CCFUQBJTCXOIRO-YCRREMRBSA-N	339.145	1.775	50	40	EDGB	
NC(=O)N/N=C1\CC[C@H](OC(=O)c2ccccc2)C[C@H]1CC(=O)O	33849209	MICMAEWJZRQTPB-SWUFVRTESA-N	333.344	1.511	50	40	EDGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(F)c1	3132054	WZTWLDGNJZRSTL-RQZCQDPDSA-N	330.275	1.823	50	40	EDGB	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(O)nn2)c1C	23606068	ZRKUCFGWSVSXPF-NSHDSACASA-N	330.344	1.028	50	40	EDGB	
COc1cc(F)c(S(=O)(=O)NNC(=O)CC(C)C)cc1OC	26533173	MVBIPYVTXBJUMZ-UHFFFAOYSA-N	334.369	1.199	50	40	EDGB	
O=C(O)[C@@H]1[C@H]2C[C@@H]([C@@H](Br)[C@H]2Br)[C@@H]1C(=O)O	100503121	HECPLCNVJSYLGU-NYLBLOMBSA-N	341.983	1.565	50	40	EDGB	
COCCOc1cccc(/C=C(/C#N)c2nc(N)nc(N(C)C)n2)c1	48332122	RUMUATFBOQXUQI-LCYFTJDESA-N	340.387	1.609	50	40	EDGB	
COc1ccc2c3c1O[C@@H]1[C@H](O)[C@H](Cl)C=C4[C@@H](C2)N(C)CC[C@]431	253505633	YINRMDCHZPUWLJ-LALBLMLBSA-N	333.815	1.863	50	40	EDGB	biogenic,in-vitro
COc1ccc(Br)cc1/C=N/NC(=O)c1ccn(C)n1	132257	YKFGYSNKFSRWEX-OVCLIPMQSA-N	337.177	1.955	50	40	EDGB	
O=C(NNC(=O)c1cnccn1)c1cccc(OC[C@H]2CCCO2)c1	27131028	NNEPXOUSUXCXPL-CQSZACIVSA-N	342.355	1.109	50	40	EDGB	
O=C(C[C@H]1CCS(=O)(=O)C1)NNC(=O)c1cc2ccccc2o1	7819021	QDLKXELMFBOIEJ-SNVBAGLBSA-N	336.369	1.019	50	40	EDGB	
COc1cc(/C=N\NC(=O)c2ccccc2)ccc1OCC(N)=O	38372914	CGAFXVSEFLKGAW-GRSHGNNSSA-N	327.340	1.323	50	40	EDGB	
COc1ccc(/C=N/NC(=O)C[n+]2ccccc2)cc1Br	2705264	ITALRWDFBLYHKN-LICLKQGHSA-O	349.208	1.896	50	40	EDGB	
CCOc1ccc(C(=O)NNC(=O)c2ccncc2)cc1[N+](=O)[O-]	569105	VJPKTBQHTYGGGJ-UHFFFAOYSA-N	330.300	1.463	50	40	EDGB	
COc1cc(OC)c(C(=O)OCC(=O)/C(C#N)=C(/C)N)cc1OC	4828891	DVAXVAGIRXJNDY-LUAWRHEFSA-N	334.328	1.195	50	40	EDGB	
O=C1C(I)=CN=C[C@@H]1I	100187976	BLYANQJUJACEBQ-VKHMYHEASA-N	346.893	1.720	50	40	EDGB	
Cc1ccc(S(=O)(=O)N/N=C2/C(=O)[C@H]3CC[C@@H]2[C@H]3Cl)cc1	8637509	SVYVWQVKXFYNOJ-WRJXZLERSA-N	326.805	1.846	50	40	EDGB	
O=C(CC(=O)N/N=C/c1ccc(O)cc1)N/N=C/c1ccc(O)cc1	1956028	QJTBIGLYHXSOOR-XOBNHNQQSA-N	340.339	1.088	50	40	EDGB	
CN1CCN(c2c([N+](=O)[O-])cc(C(=O)Cl)cc2[N+](=O)[O-])CC1	26508981	VEPRBVMWXAQKGK-UHFFFAOYSA-N	328.712	1.634	50	40	EDGB	
CC(=O)c1cccc(N(C(=O)CCl)[C@H]2CCS(=O)(=O)C2)c1	40177583	JHSOJDLOHZTSOD-ZDUSSCGKSA-N	329.805	1.648	50	40	EDGB	
CCOC(=O)Nc1nnc(S[C@@H](C)C(=O)NNC(=O)CC)s1	69653899	ZNGDFXLIWOMMSG-LURJTMIESA-N	347.422	1.145	50	40	EDGB	
CCOC(=O)[C@@H](Br)CN1C(=O)c2ccccc2C1=O	335052	AQHOUPJYCGBSMJ-JTQLQIEISA-N	326.146	1.609	50	40	EDGB	
Nc1cc(Cl)ccc1C(=O)OCC(=O)NNC(=O)c1ccccc1	3523729	ODDKTVZLSOLFRZ-UHFFFAOYSA-N	347.758	1.540	50	40	EDGB	
CCOC(=O)/C=C/C(=O)NNC(=O)COc1ccc(Cl)cc1C	1794685	PAXIEWKUWNQYSL-VOTSOKGWSA-N	340.763	1.294	50	40	EDGB	
Nc1ccc(C(=O)N/N=C/c2ccc(N3CCOCC3)s2)cc1	3525554	XINPPRQCQAVBDZ-WOJGMQOQSA-N	330.413	1.931	50	40	EDGB	
COc1cccc(/C=N/NC(=O)C(=O)NCc2ccccc2)c1O	4679730	ZNGXJOAJMBNBBF-YBFXNURJSA-N	327.340	1.167	50	40	EDGB	
CO[C@H](C(=O)NNC(=O)COc1ccccc1C)c1ccccc1	5943196	VLGKMMPMGLQHNS-KRWDZBQOSA-N	328.368	1.909	50	40	EDGB	
CCCc1cc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cs1	102207928	UORYALHLDZCESL-NUZBWSBOSA-N	348.424	1.985	50	40	EDGB	
Cc1ccccc1NNC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O	102850824	RHIHKSBPULBNIU-KBPBESRZSA-N	327.384	1.779	50	40	EDGB	
COC(=O)Cc1[nH]nc2c1[C@H](c1ccc(F)cc1)C(C#N)=C(N)O2	4453373	IEHBVVDSHVGPQC-CYBMUJFWSA-N	328.303	1.482	50	40	EDGB	
COC(=O)CC1=C(C(=O)OC)[C@H](c2ccccc2F)C(C#N)=C(N)O1	4476284	VDSNMWFNUJUHQG-CQSZACIVSA-N	346.314	1.624	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccs1	4592593	KVXSLWMCJXBXOZ-UHFFFAOYSA-N	327.343	1.280	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccccc1Br)c1ccco1	7519746	ZKFYMTVVDNXYOZ-UHFFFAOYSA-N	345.174	1.665	50	40	EDGB	
CCc1sc(C(=O)NNC(=O)CN2CCO[C@@H](C)C2)cc1C	72290401	FEDLAGAUBYZBQH-NSHDSACASA-N	325.434	1.101	50	40	EDGB	
CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccncc2)c1O	36145010	KIBZOHZGPQOPIU-RQZCQDPDSA-N	330.300	1.858	50	40	EDGB	
N#CC1=C(N2CCOCC2)N=C(N)[C@]1(C#N)CC(=O)c1ccccc1	100251338	OHFDRAFOAQCRSA-SFHVURJKSA-N	335.367	1.208	50	40	EDGB	
COc1cccc(CC(=O)NNC(=O)c2ccc3c(c2)OCO3)c1	157754	QJPIYKCUZYICOW-UHFFFAOYSA-N	328.324	1.428	50	40	EDGB	
O=C(CC(=O)N/N=C/c1ccc(Cl)cc1)NCc1cccnc1	59461571	QDQAYNVQPBIFSW-RGVLZGJSSA-N	330.775	1.892	50	40	EDGB	
O=C1O[C@@H]2[C@H](Br)[C@H]3C[C@@H]2[C@H]1[C@H]3C(=O)Nc1nccs1	8474956	MZOXLTILEBFDPQ-ZKMHSNTISA-N	343.202	1.653	50	40	EDGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2)ccc1OCC(N)=O	38164481	RMCCHENFHGOYOB-JAIQZWGSSA-N	341.367	1.713	50	40	EDGB	
O=C(NNc1cnccn1)NC1CCN(Cc2ccccc2)CC1	32779550	PXMXDCJVCFOZJP-UHFFFAOYSA-N	326.404	1.767	50	40	EDGB	
CCCCC1(CCI)C(=O)NC(=O)NC1=O	1752380	BXNUNIFDSTVVPH-UHFFFAOYSA-N	338.145	1.354	50	40	EDGB	
COCC(=O)NNC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1	2622412	NGWLNZFAZLCXTG-UHFFFAOYSA-N	339.351	1.398	50	40	EDGB	
O=C(Cn1nnc(-c2cccs2)n1)NNC(=O)c1ccc(F)cc1	6580782	SVXHTESWUGIWQN-UHFFFAOYSA-N	346.347	1.002	50	40	EDGB	
COc1ccc(OCC(=O)N/N=C(\C)CC(=O)NCC(C)C)cc1	6646019	QRFDPECVFGRDJG-CPNJWEJPSA-N	335.404	1.728	50	40	EDGB	
O=C(Cc1c(F)cccc1Cl)NNC(=S)NC[C@H]1CCCO1	6828600	JFDQXMUOTXLCQA-SECBINFHSA-N	345.827	1.696	50	40	EDGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1	408971115	MISNCTLCOAQQFO-IYPWXLATSA-N	337.376	1.077	50	40	EDGB	
C[C@@H](C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2)S(C)(=O)=O	44950272	FKFMKTXPEDEWOO-BDAKNGLRSA-N	344.458	1.067	50	40	EDGB	
CC(C)Oc1ccc(C(=O)NNC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1	13254435	QXGFXIPHXXKVDR-GJZGRUSLSA-N	346.383	1.902	50	40	EDGB	
COc1ccc(C(=O)N/N=C/c2cccc(OCC(=O)O)c2)cc1	408749277	MZNYMVJRBOHMQH-VCHYOVAHSA-N	328.324	1.923	50	40	EDGB	
O=C(CCC(=O)NNC(=O)Cc1ccccc1)NCc1ccco1	4700437	HPAWFHUCOHTEGR-UHFFFAOYSA-N	329.356	1.066	50	40	EDGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(O)cc1O	408565772	ADPADYTVBHJNAX-LZYBPNLTSA-N	331.284	1.779	50	40	EDGB	
O=C(N/N=C1\C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)N[C@@H]1CCS(=O)(=O)C1	102122291	IKNQMFZIFSCKKF-KTXHGTEOSA-N	325.434	1.285	50	40	EDGB	
COc1ccc(C(=O)NNC(=O)CCC(=O)O)cc1Br	1794719	GBCROVDCSXIKSE-UHFFFAOYSA-N	345.149	1.084	50	40	EDGB	
COCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C	58884231	CSRFLMSBFBKPDR-UDWIEESQSA-N	342.399	1.307	50	40	EDGB	
CC(C)CN(C(=O)CCl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	3319679	YENAOQAXFFYGIR-UHFFFAOYSA-N	330.816	1.003	50	40	EDGB	
O=C(NNC(=O)c1ccc2c(c1)OCCO2)NC(C1CC1)C1CC1	45437424	ZZOZJTYFPPQJPS-UHFFFAOYSA-N	331.372	1.590	50	40	EDGB	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cc2c(s1)CCC2	3429886	SNBJCBWZBXEBLM-ZDUSSCGKSA-N	344.392	1.838	50	40	EDGB	
O=C(CNC(=O)c1ccccc1O)N/N=C/c1ccc2c(c1)OCO2	4575189	GCBVMRHXAHCMDO-UFWORHAWSA-N	341.323	1.001	50	40	EDGB	
COCc1n[nH]c2c1[C@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2	4592567	HOMOHOFJMIMQBK-CQSZACIVSA-N	342.355	1.791	50	40	EDGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](CC)[C@H]2C1	20000714	ITBLCFKBUQICBV-KBPBESRZSA-N	325.372	1.811	50	40	EDGB	
Cc1ccc(S(=O)(=O)NCCC(=O)N/N=C\c2ccccc2)cc1	32573520	WNXQPHHXQSPNKW-AQTBWJFISA-N	345.424	1.814	50	40	EDGB	
C=CCNC(=S)NNC(=O)c1ccc(=O)n(Cc2ccccc2)c1	3052131	HNKOWXNLSAPIPJ-UHFFFAOYSA-N	342.424	1.192	50	40	EDGB	
COc1ccc(C(=O)NC(=S)NNC(=O)c2cccs2)cc1	4950514	IECRPVQRYNHALG-UHFFFAOYSA-N	335.410	1.706	50	40	EDGB	
O=C(N/N=C/c1ccccc1I)c1nc[nH]n1	6863676	SDOQJGHAWDWGKG-WLRTZDKTSA-N	341.112	1.173	50	40	EDGB	
COc1ccc(OCC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2O)cc1	102650857	ZWALEVPWEYCNMZ-MFOYZWKCSA-N	345.311	1.838	50	40	EDGB	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cc2ccccc2[nH]1	12846982	LTIVIGJFPZUCAW-INIZCTEOSA-N	337.335	1.769	50	40	EDGB	
CC(C)n1nc(C(=O)NNC(=O)[C@H]2C[C@@H]2C)c2ccccc2c1=O	14240096	YQFFTYDRKLOVLI-GWCFXTLKSA-N	328.372	1.394	50	40	EDGB	
O=C(CSc1nnnn1-c1ccccc1)N/N=C/c1ccccc1	5870504	IKPHTHJJPKNHRS-GZTJUZNOSA-N	338.396	1.905	50	40	EDGB	
COc1cc(/C=N\NC(=O)CC(=O)NCc2ccccc2)ccc1O	408751999	DOQVGZVBFALLAN-NDENLUEZSA-N	341.367	1.557	50	40	EDGB	
CCOc1cc(/C=C(\C#N)C(=O)NCCOC)ccc1OCC#N	408815486	WXBLFFMRSBJDAV-GXDHUFHOSA-N	329.356	1.657	50	40	EDGB	
CN1C(=O)CS/C1=N\NC(=O)COc1cccc2cccnc12	12712124	PHGFKSILYXJBKD-SDXDJHTJSA-N	330.369	1.206	50	40	EDGB	
COc1cc([N+](=O)[O-])ccc1/N=C/[C@H]1C(=O)N(C)C(=O)C(C#N)=C1C	5415954	OPZCSHZANGUMDZ-VGTRTNLYSA-N	342.311	1.761	50	40	EDGB	
CC(C)CC(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1	32795786	CEWOOESPCYSLKS-HNNXBMFYSA-N	343.427	1.722	50	40	EDGB	
O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NNC(=O)c1cccc(O)c1	102413632	WMCLXQVQFWRDLT-NYYJTOMGSA-N	344.411	1.875	50	40	EDGB	
CC(=NNC(=O)CNC(=O)c1ccc2c(c1)OCO2)c1ccco1	4322378	KRGUWCOUESYEEL-UHFFFAOYSA-N	329.312	1.279	50	40	EDGB	
COc1cccc(OC)c1/C=N/NC(=O)CC(=O)NC1CCCCC1	6583687	PVMPJSFPBJUMOS-XDHOZWIPSA-N	347.415	1.993	50	40	EDGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1[N+](=O)[O-]	1949889	IQLNEESCAUOJKE-OVCLIPMQSA-N	330.256	1.973	50	40	EDGB	
N#CCCCN1C(=O)/C(=N/NC(=O)c2cnccn2)c2ccccc21	100433961	NABMSLJDTTUZFW-RCCKNPSSSA-N	334.339	1.261	50	40	EDGB	
CCc1c(C(=O)NNC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)csc1C	4652051	LHKWKBRAKVJWPX-OAACRXHESA-N	348.424	1.903	50	40	EDGB	
C=CCCOCC(=O)NNC(=O)[C@@H](C)Oc1ccc(OCC)cc1	57997337	OMUDWLARYPRIBQ-CYBMUJFWSA-N	336.388	1.593	50	40	EDGB	
O=C(NCc1ccc(-n2ccnc2)nc1)NNC(=O)c1cccs1	29327742	WEPDXFGDQFNFAX-UHFFFAOYSA-N	342.384	1.473	50	40	EDGB	
Cn1cc(/C=C/C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cn1	15430268	DLXUXWJSDIXRSN-NSCUHMNNSA-N	328.416	1.797	50	40	EDGB	
COCCOC(=O)/C(C#N)=C/c1ccc(OCC(=O)O)c(Cl)c1	408949895	SOLPDBLVXHTQQK-IZZDOVSWSA-N	339.731	1.900	50	40	EDGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(Br)c1	408973165	ZKGIATBDDCBLOZ-HVIDBACLSA-N	326.194	1.814	50	40	EDGB	
Cc1ccccc1OCC(=O)N/N=C/c1ccc(N2CCOCC2)o1	1029428	SYDOJZXAQGNGEP-XDHOZWIPSA-N	343.383	1.954	50	40	EDGB	
COC(=O)CSC1=C(C#N)[C@@H](c2ccccc2OC)CC(=O)N1	8996142	NXYDQNQEOTVWTM-LLVKDONJSA-N	332.381	1.940	50	40	EDGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)cc1O	20086746	KKSQDTXAUXSNCB-OAHLLOKOSA-N	339.351	1.626	50	40	EDGB	
CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccccn2)cc1	59434188	OFCPBNCRQAWFFO-YBFXNURJSA-N	340.339	1.347	50	40	EDGB	
COC(=O)/C(C#N)=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1	5669503	VEXAKEBSBMAIOB-FLIBITNWSA-N	332.337	1.674	50	40	EDGB	
CCCCC(=O)NN/C(CC)=C1\C(=O)NC(=O)N(CCCC)C1=O	9317060	MBKQPZICEFBPNA-ACCUITESSA-N	338.408	1.340	50	40	EDGB	
Cc1ccc(-c2nnc(CCC(=O)NNC(=O)[C@H]3C[C@H]3C)o2)cc1	8852414	BBHFAEFMSMHDOU-YPMHNXCESA-N	328.372	1.781	50	40	EDGB	
COc1cccc(CC(=O)NNC(=S)NCc2ccccc2)c1	68976446	NXZXFGDDNRURIT-UHFFFAOYSA-N	329.425	1.933	50	40	EDGB	
CC(=O)c1cccc(N(C(=O)CCl)[C@@H]2CCS(=O)(=O)C2)c1	40177582	JHSOJDLOHZTSOD-CYBMUJFWSA-N	329.805	1.648	50	40	EDGB	
Cc1ccc(S(=O)(=O)NC(=O)NNC(=O)c2ccccc2O)cc1	5929586	XNEDYPVOURQSTN-UHFFFAOYSA-N	349.368	1.034	50	40	EDGB	
NNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1	2522562	YRNMJERWBOKZEI-HNNXBMFYSA-N	329.356	1.220	50	40	EDGB	
CC(=O)N/N=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1	408780557	DOERHPZYBKQWTH-VCHYOVAHSA-N	328.328	1.005	50	40	EDGB	
Cc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1C	7428720	OMNIZNPUWISVKD-UHFFFAOYSA-N	348.380	1.655	50	40	EDGB	
O=C(CNC(=O)c1ccc(F)cc1)NNC(=O)c1ccc(F)cc1	17360032	SSNZPMGOAKLZRX-UHFFFAOYSA-N	333.294	1.156	50	40	EDGB	
CC[N+](CC)=C1S[C@H]2[C@@H](CS(=O)(=O)[C@@H]2Br)S1	254520414	FVJBSQVZXZYAQQ-CSMHCCOUSA-N	345.329	1.761	50	40	EDGB	
COCCNC(=O)CC(=O)N/N=C\c1c(O)ccc2ccccc12	59444505	PFAAJVAHJLHXRJ-ODLFYWEKSA-N	329.356	1.148	50	40	EDGB	
CSc1ccc(/C=N\NC(=O)CC(=O)NCc2cccnc2)cc1	58885194	WKZFCTXHDSEUKQ-NDENLUEZSA-N	342.424	1.960	50	40	EDGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccco2)S(C)(=O)=O)cc1C	408781661	DYVWVGPKHIIRPA-LICLKQGHSA-N	349.412	1.813	50	40	EDGB	
O=C(NNC(=O)c1cc(Br)ccc1O)c1ccccn1	14158622	QLTBLHKCYQEPDW-UHFFFAOYSA-N	336.145	1.625	50	40	EDGB	
CC(C)COC[C@H](O)CCC(=O)NNC(=S)Nc1ccccc1	8692071	PHRWNIOWYVATHS-CQSZACIVSA-N	339.461	1.818	50	40	EDGB	
CS(=O)(=O)[C@@H](I)[C@@H](O)c1cccc(F)c1	96519199	OOISSMBOKJECPP-DTWKUNHWSA-N	344.145	1.665	50	40	EDGB	
O=C(NNc1ccc(Br)cc1)[C@H]1CC(=O)N(C2CC2)C1	48426305	QWCAOMBDOROQJU-VIFPVBQESA-N	338.205	1.903	50	40	EDGB	
Cc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)o1	4086394	RVVIMEUPVNDURR-QGMBQPNBSA-N	344.327	1.685	50	40	EDGB	
COc1ccc(-c2nn(CCC(N)=O)cc2/C=C(/C#N)C(=O)O)cc1	12504715	GYDKKGONSIGLAV-WQLSENKSSA-N	340.339	1.426	50	40	EDGB	
CN(C)c1cccc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c1	3294112	HTMGESPEJIOLOM-INIZCTEOSA-N	341.367	1.354	50	40	EDGB	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)CC(C)(C)CC(=O)O	12800865	MNTKMKCUJGZLGN-LLVKDONJSA-N	347.371	1.364	50	40	EDGB	
CCCNC(=O)CCCC(=O)NNC(=O)c1ccc(OCC)cc1	65522577	HXBRNCGILMWIGI-UHFFFAOYSA-N	335.404	1.543	50	40	EDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccs1)c1ccccc1	4616983	IRDYWKAAYQHVNP-XNTDXEJSSA-N	337.426	1.664	50	40	EDGB	
O=C(NCCCNS(=O)(=O)CCl)c1cc(F)ccc1F	72310023	ZEOCHUSNDIYACQ-UHFFFAOYSA-N	326.752	1.200	50	40	EDGB	
COC(=O)COc1ccc(/C=N/NC(=O)CN2CCCCC2)cc1	269464	LOWLFXJDJFOSMJ-WOJGMQOQSA-N	333.388	1.174	50	40	EDGB	
COc1ccc2ncc(C(=O)NNC(=O)c3cccs3)c(N)c2c1	20746059	ACASEAHKFFEPSN-UHFFFAOYSA-N	342.380	1.962	50	40	EDGB	
O=C(CSc1nnc2n1CCCCC2)NNC(=O)c1ccccc1	6097169	ZMKPOVIRSFSLBR-UHFFFAOYSA-N	345.428	1.558	50	40	EDGB	
Cc1cc(C(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)O)ccc1[N+](=O)[O-]	372931	BPMRHYNJSRZFHK-NWDGAFQWSA-N	349.343	1.555	50	40	EDGB	
N#C/C(=C\c1ccc(OCC(=O)NC2CCCCC2)cc1)C(N)=O	102913861	BIPBHEQNGDNTHO-GXDHUFHOSA-N	327.384	1.907	50	40	EDGB	
O=C(NCc1cccnc1)C(=O)N/N=C\c1c(F)cccc1Cl	408985917	LBKKITOZWICVBN-UKWGHVSLSA-N	334.738	1.641	50	40	EDGB	
Cc1cc(C(=O)NNC(=O)Cn2cnc3ccccc3c2=O)c(C)o1	9417166	XQYJIBIILXOYQG-UHFFFAOYSA-N	340.339	1.068	50	40	EDGB	
O=C(COc1cccc([N+](=O)[O-])c1)N/N=C/c1ccc(O)c(O)c1	3131903	HQQGWIATQYOEDF-LZYBPNLTSA-N	331.284	1.535	50	40	EDGB	
Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccccc3)CC2=O)cc1	8290139	CHFICSIQSWRDLI-HNNXBMFYSA-N	337.379	1.809	50	40	EDGB	
CC(C)CNC(=O)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	3274131	KXGJLYHFFXUFSR-UHFFFAOYSA-N	332.187	1.527	50	40	EDGB	
Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccco3)CC2=O)cc1	26812006	PYKAJYXNAJPZHJ-LBPRGKRZSA-N	327.340	1.402	50	40	EDGB	
C=CCSC1=C(C#N)[C@@H](c2cccnc2)[C@@H](C(=O)OC)C(=O)N1	14671752	NTPBEJZQBUAQBN-CHWSQXEVSA-N	329.381	1.739	50	40	EDGB	
CC(=O)OCc1c(C)ccc(C2C(C#N)=C(N)OC(N)=C2C#N)c1C	33196	BCGZPOVFNRFGPB-UHFFFAOYSA-N	338.367	1.868	50	40	EDGB	
C[C@H](Br)C(=O)OCCOC(=O)[C@@H](C)Br	1707050	OBNPDQQJYLNJPU-OLQVQODUSA-N	331.988	1.640	50	40	EDGB	
Cc1cc(C)n2nc(C(=O)N/N=C/c3ccc([N+](=O)[O-])s3)nc2n1	1827533	ULBQKUJWAYLRFV-MKMNVTDBSA-N	345.344	1.475	50	40	EDGB	
Cc1nc(C(=O)NNC(=O)c2ccncc2)nn1-c1ccc(F)cc1	12877425	CTRHCKWDWCUVNZ-UHFFFAOYSA-N	340.318	1.185	50	40	EDGB	
Cc1ccc(CN(CC(=O)NN)S(=O)(=O)c2ccc(C)cc2)cc1	223467364	FGVCUOZXBFIGLK-UHFFFAOYSA-N	347.440	1.484	50	40	EDGB	
C[C@H](Oc1ccc(/C=C(/C#N)C(=O)N2CCOCC2)cc1)C(=O)O	5017884	QBCLBGCVVBUQBJ-GVIGZQTCSA-N	330.340	1.304	50	40	EDGB	
O=C(COC(=O)/C=C/c1ccco1)NNC(=O)c1ccc(Cl)cc1	3323769	KXLUVQNLXOFPBN-BQYQJAHWSA-N	348.742	1.951	50	40	EDGB	
N#CC1=C(N)Oc2nc(O)[nH]c(=O)c2[C@@H]1c1cccc2ccccc12	70849	IHHFRYVUJAWYCU-CYBMUJFWSA-N	332.319	1.847	50	40	EDGB	biogenic,in-vitro
COC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)N(C)c1ccccc12	89403	OESHPODNXCQFRN-KRWDZBQOSA-N	325.324	1.072	50	40	EDGB	
Cc1nc2ccccn2c1C(=O)NNS(=O)(=O)c1cccc(F)c1	8778666	FFJFIHUXDMRNJT-UHFFFAOYSA-N	348.359	1.405	50	40	EDGB	
O=C(N/N=C\c1ccc(SCCO)c([N+](=O)[O-])c1)c1ccncc1	32125028	WWLUVARKNQSICF-YVLHZVERSA-N	346.368	1.838	50	40	EDGB	
Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1C	41124414	VGRCCOWRMCDRTK-QGMBQPNBSA-N	344.327	1.685	50	40	EDGB	
Cc1c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-]	5537077	DSBJMYUNOGYIIO-UHFFFAOYSA-N	344.283	1.886	50	40	EDGB	
CCc1sc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1C	102633196	VNDFMGXCWATZER-NUZBWSBOSA-N	348.424	1.903	50	40	EDGB	
COC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1	57509186	LBBANOQVHDCSHX-CYBMUJFWSA-N	340.763	1.724	50	40	EDGB	
O=C(CCn1c(S)nnc1-c1ccc(F)cc1)NNC(=O)C1CC1	9747467	QSAZNPIJRQBWKC-UHFFFAOYSA-N	349.391	1.320	50	40	EDGB	
O=C(CNC(=O)c1ccccc1F)N/N=C/c1ccc(O)cc1O	2278165	ZXXMLFXEDZDQBP-UFWORHAWSA-N	331.303	1.117	50	40	EDGB	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc2c(c1)OCO2	14022360	PCJGKBNRISAWPE-HNNXBMFYSA-N	342.307	1.016	50	40	EDGB	
C=CCc1cc(/C=N\NC(=O)CN2CCOCC2)cc(OCC)c1O	408994415	HKJJSBZWLLVYMY-UNOMPAQXSA-N	347.415	1.302	50	40	EDGB	
Cc1noc(C)c1CC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	27197800	FEZOKQCLAQJLDM-NSHDSACASA-N	335.335	1.588	50	40	EDGB	
Cc1cc(NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)no1	101693425	IZLXPVZEQYFXHU-AUYZFIFFSA-N	341.161	1.493	50	40	EDGB	
O=C(NNC(=O)[C@H]1CC1(Cl)Cl)[C@H]1COc2ccccc2O1	25465194	ONBLWEFJZFOYFJ-GMSGAONNSA-N	331.155	1.168	50	40	EDGB	
O=C1[C@H]2[C@@H]3C[C@@H]4[C@H]2C(=O)[C@@H](Br)[C@H]4[C@H]3[C@H]1Br	216090894	ASRUXQHQIUKJHH-NGNSZWHISA-N	334.007	1.793	50	40	EDGB	
CC(=O)N(CC(=O)C(=O)NNc1ccoc1)c1ccc(Cl)cc1	1639403	BEPTYFFGWATXGH-UHFFFAOYSA-N	335.747	1.998	50	40	EDGB	
Cc1ccc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	58884952	GZLFTAMNHSDESX-LICLKQGHSA-N	326.312	1.992	50	40	EDGB	
Cc1cccc(OCC(=O)NNC(=O)COc2cccc(C)c2)c1	4679735	AYHFFQFXNJIUSO-UHFFFAOYSA-N	328.368	1.909	50	40	EDGB	
O=C(N/N=C/c1ccccn1)C(=O)Nc1ccc(Br)cc1	4703104	ORVWSPNCGJPXBE-RQZCQDPDSA-N	347.172	1.933	50	40	EDGB	
CCOC(=O)/C(C#N)=C/NCc1cccc(NC(=O)[C@@H]2CCCO2)c1	67952273	GSRGDVWAGYFCDA-GRNBYLDVSA-N	343.383	1.864	50	40	EDGB	
O=C1NC[C@H](c2ccccc2)[C@@H]1C(=O)N/N=C\c1ccc(O)cc1O	16102522	BUMQKMRXGCGGOR-ZUIDABRVSA-N	339.351	1.078	50	40	EDGB	
O=C1CCSc2ccc(C(=O)NNC(=O)c3ccccn3)cc2N1	17328837	QLOUHKXIZQUGJP-UHFFFAOYSA-N	342.380	1.591	50	40	EDGB	
C[C@H](O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	58882265	GPNVIUWKZPJUPY-MDBUFAAASA-N	341.367	1.535	50	40	EDGB	
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NNC(=O)/C=C/C(=O)O	2784215	UZUZCIOIBJNNLA-CYNONHLPSA-N	326.736	1.204	50	40	EDGB	
O=C(NNC(=O)N1CCN(c2nccs2)CC1)c1ccccc1	12973255	UTYOINSHAGIPSC-UHFFFAOYSA-N	331.401	1.320	50	40	EDGB	
CCOc1cc(/C=C(\C#N)C(N)=O)ccc1OCC(=O)N1CCCC1	409167045	HBWFZUYYTNXKCM-NTEUORMPSA-N	343.383	1.479	50	40	EDGB	
Cc1cc(C)cc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)c1	6653306	AGVBRFKKNYCQDD-UHFFFAOYSA-N	336.351	1.615	50	40	EDGB	
O=C(NNC(=O)C1(O)CCCCC1)c1ccc(Br)cc1	75109849	CXBPJVSXCPOVKS-UHFFFAOYSA-N	341.205	1.905	50	40	EDGB	
CCn1c(C)cc2c(c1=O)[C@@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2	9355622	FMBFUUNVDJCICT-IBGZPJMESA-N	348.362	1.501	50	40	EDGB	
CCOC(=O)c1ccc(NC(=O)CCNC(=O)[C@@H](C)Cl)cc1	8733072	USFXUARVIDVTQW-SNVBAGLBSA-N	326.780	1.935	50	40	EDGB	
O=S1(=O)C[C@H](NC(=S)OC(CCl)CCl)[C@@H](Cl)C1	59568404	KPERORHPYMECFR-BQBZGAKWSA-N	340.681	1.128	50	40	EDGB	
CCc1c(C(=O)NNC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)csc1C	4652050	LHKWKBRAKVJWPX-QOBDMFJFSA-N	348.424	1.903	50	40	EDGB	
O=C(CCn1nnc2ccccc21)N/N=C1/C(=O)Nc2ccccc21	5731648	MESYYOKXVAUQCO-UHFFFAOYSA-N	334.339	1.294	50	40	EDGB	
Cc1nn(C)cc1-c1cc(C(=O)N/N=C/c2c(C)nn(C)c2F)no1	252490451	KTTJLPKUJRRARD-UBKPWBPPSA-N	345.338	1.328	50	40	EDGB	
O=C(NCCN1CCOCC1)NNc1ccc(OC(F)(F)F)cc1	42949593	GNLZPQBRTISZGJ-UHFFFAOYSA-N	348.325	1.544	50	40	EDGB	
Cn1cnnc1SCc1ccc(C(=O)NNC(=O)C2CCC2)cc1	3306554	VFSJQUFDNUEYAP-UHFFFAOYSA-N	345.428	1.669	50	40	EDGB	
CCCCCCC(=O)NNC(=O)c1c(O)n(C)c2ccccc2c1=O	5732238	SCAOGMGOPJBGAC-UHFFFAOYSA-N	345.399	1.976	50	40	EDGB	
CCCc1c(C(=O)NNc2nccc(OC)n2)[nH]c(C)c1C(=O)OC	52582675	URLGVEHDQZDFOE-UHFFFAOYSA-N	347.375	1.618	50	40	EDGB	
CC(C)C(=O)NNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O	12601759	AHPISOJIDOUHMB-LLVKDONJSA-N	341.820	1.946	50	40	EDGB	
O=C(NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1ccc(Cl)cc1	108274235	VVOFYOPYLIDASN-UKJIMTQDSA-N	334.759	1.624	50	40	EDGB	
Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C/c1cn(C)c2ccccc12	408976053	OWVPUCFWOCBTKU-CNHKJKLMSA-N	340.343	1.742	50	40	EDGB	
Cc1cc(C)cc(N2C(=O)C[C@H](NNC(=O)c3ccncc3)C2=O)c1	100097056	UGDIYUYUHCFDAD-HNNXBMFYSA-N	338.367	1.265	50	40	EDGB	
C=CCNC(=S)NNC(=O)COc1ccc(Br)cc1	2064525	GMEDFBOUGKDRHI-UHFFFAOYSA-N	344.234	1.509	50	40	EDGB	
O=C(COc1ccccc1F)NNC(=O)c1cc(-c2ccco2)[nH]n1	29833110	TZQPNPYHWAYTSG-UHFFFAOYSA-N	344.302	1.649	50	40	EDGB	
COc1ccc(CCC(=O)NNC(=O)Cn2nc(C)cc2C)cc1	12896215	NTDRUFHQFZSZQF-UHFFFAOYSA-N	330.388	1.289	50	40	EDGB	
Cc1cccc(N(CC(=O)N/N=C/c2cccnc2)S(C)(=O)=O)c1	20207684	FEZOZPSHTAQJIW-WOJGMQOQSA-N	346.412	1.306	50	40	EDGB	
CN(c1ccc(C(=O)N/N=C/c2ccccc2)cc1)S(C)(=O)=O	409113005	NAZCWTWVNIHQML-SFQUDFHCSA-N	331.397	1.846	50	40	EDGB	
NC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1	36617127	WFZSHBGZTKNQHT-KGVSQERTSA-N	336.971	1.919	50	40	EDGB	
CCOC(=O)COc1ccc(Br)cc1/C=N\NC(C)=O	32124549	DSDSGXJBAAAGGE-CHHVJCJISA-N	343.177	1.861	50	40	EDGB	
Cc1nn(C)c(F)c1/C=N/NC(=O)[C@H](C)Oc1ccccc1[N+](=O)[O-]	252510323	ZHHSLIMCQFFMDX-JVDJPWEPSA-N	349.322	1.693	50	40	EDGB	
Cc1ccc(/C=N/NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2C)o1	4086409	DNUPXIQXZOJCNF-QGMBQPNBSA-N	344.327	1.685	50	40	EDGB	
N[C@H](Cc1ccccc1)C(=O)NCC(=O)Oc1ccc([N+](=O)[O-])cc1	6580712	MSLLEEOIZFFIRI-OAHLLOKOSA-N	343.339	1.186	50	40	EDGB	
CCOc1ccccc1/C=N/NC(=O)C(=O)NCCc1ccccc1	7812015	IQJGUDANVOGCJS-KGENOOAVSA-N	339.395	1.894	50	40	EDGB	
COc1ccc(OCC(=O)NNC(=O)COc2ccccc2C)cc1	1801243	MOIMLCUZVUQPQX-UHFFFAOYSA-N	344.367	1.609	50	40	EDGB	
O=C(Cc1ccc(Cl)cc1)NNC(=S)NC(=O)c1ccco1	2441414	FJZVCQDDNZWWMQ-UHFFFAOYSA-N	337.788	1.811	50	40	EDGB	
O=C(NCc1ccncc1)C(=O)N/N=C\c1c(F)cccc1Cl	59444769	LPUSUMXLAWWUFL-UKWGHVSLSA-N	334.738	1.641	50	40	EDGB	
CCOC(=O)CN1C(=O)/C(=C(\C#N)C(=O)OCC)c2ccccc21	409389383	QCTIGRNNINVHJP-NTCAYCPXSA-N	328.324	1.437	50	40	EDGB	
CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)CCl)cc1	2410849	GVWRGECYXKDSCK-UHFFFAOYSA-N	347.824	1.652	50	40	EDGB	biogenic
COc1ccc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])cc1O	359345	BIKOIVNOGXEUPS-RQZCQDPDSA-N	345.311	1.838	50	40	EDGB	
CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccoc3)[C@H]2C1	377194	ANSQRQZSXFLMMD-HOTGVXAUSA-N	333.351	1.551	50	40	EDGB	
CN1C(=O)/C(=N/NC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21	100527302	VLMYXNFAXAIEER-NXSRCCIVSA-N	337.335	1.323	50	40	EDGB	
N#C/C(=C\c1ccc(N2CCCC2)cc1)c1nn(CCO)c(N)c1C#N	3894046	OADRYFYFDBCXBK-RVDMUPIBSA-N	348.410	1.994	50	40	EDGB	
Cc1ccc(C(=O)NNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1	41125003	JBVSLUNULLJTTG-UHFFFAOYSA-N	347.352	1.053	50	40	EDGB	
COCCCNC(=O)c1ccc(NC(=O)CBr)cc1	35605288	TXQCPCPZAVCUQO-UHFFFAOYSA-N	329.194	1.786	50	40	EDGB	
O=C(NNC(=O)c1n[nH]c2c1CCCC2)c1ccc2ncsc2c1	9896023	PATJPHVPXWYZBL-UHFFFAOYSA-N	341.396	1.973	50	40	EDGB	
COc1cccc(/C=N/NC(=O)[C@@H](C)NC(=O)c2ccccc2)c1	5356953	XLKQYLHTXZQAAG-KZKLBEMASA-N	325.368	1.964	50	40	EDGB	
COC(=O)Oc1ccc(/C=N/NC(=O)CN2CCCCC2)cc1OC	5512715	FNLBZIJWJPSNAX-WOJGMQOQSA-N	349.387	1.776	50	40	EDGB	
CCn1c(=O)c(C(=O)NNC(=O)CC(C)C)c(O)c2ccccc21	100551215	BVWHBANAKYXBCW-UHFFFAOYSA-N	331.372	1.534	50	40	EDGB	
CC(=O)Nc1ccc(S(=O)(=O)CI)cc1	1661071	FFPCAZHJENFOTC-UHFFFAOYSA-N	339.154	1.811	50	40	EDGB	
C/C(N)=C(\C#N)C(=O)COC(=O)C[C@@H]1Sc2ccccc2NC1=O	104396672	APPDXESGRACXQA-CMUBDUJZSA-N	345.380	1.358	50	40	EDGB	
COC(=O)Cc1[nH]nc2c1[C@H](c1ccccc1F)C(C#N)=C(N)O2	4453367	UEKQRDZFULJLCJ-CYBMUJFWSA-N	328.303	1.482	50	40	EDGB	
O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1ccccc1F	6890164	UQFRRPSTZJCVHV-LICLKQGHSA-N	335.360	1.254	50	40	EDGB	
C/C(CC(=O)Nc1ccc2c(c1)OCO2)=N\NC(=O)c1ccncc1	100789148	AQKQKXVKYDZELV-RGVLZGJSSA-N	340.339	1.945	50	40	EDGB	
ClCCN(CCCl)c1ccc(/C=N/Nc2nnn[nH]2)cc1	4675042	HZWBGDURIKHRQS-OQLLNIDSSA-N	328.207	1.930	50	40	EDGB	
CNC(=O)C1=C2SC[C@@](C)(O)N2C(N)=C(C#N)[C@@H]1c1ccccc1	481760	MXIXVEUSTRZUIE-YVEFUNNKSA-N	342.424	1.193	50	40	EDGB	
CCc1ccc(OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1	486482	FVPWTTCEYYODDO-UHFFFAOYSA-N	343.339	1.997	50	40	EDGB	
Cc1sc2ncnc(SCC(=O)NNC(=O)C3CC3)c2c1C	3328914	IWBBBUCSMBEHHL-UHFFFAOYSA-N	336.442	1.958	50	40	EDGB	
Cc1ccccc1C(=O)NNC(=O)CSc1nc(C)c(C)c(=O)[nH]1	6667740	RFBPFUDQLLITQQ-UHFFFAOYSA-N	346.412	1.248	50	40	EDGB	
C#CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3[nH]nc(C)c32)c2ccccc21	6785685	VGDPYQSIKRQZHZ-GOSISDBHSA-N	331.335	1.070	50	40	EDGB	
O=C1N(CN2CCOCC2)c2ccccc2[C@@]12OC[C@H](CCl)O2	19831242	MRAGSXXFMHQZGC-LRDDRELGSA-N	338.791	1.130	50	40	EDGB	
C[C@@]12O[C@@H]([C@H](Br)[C@@H]1Br)[C@H]1C(=O)OC(=O)[C@H]12	98048856	LIWROZKJGNEHRM-BUJZLLRLSA-N	339.967	1.000	50	40	EDGB	
Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NNC(=O)c1cnccn1	30816207	UJQRVFVTAJLHQD-NSHDSACASA-N	348.790	1.975	50	40	EDGB	
CCOC(=O)Cc1n[nH]c2c1[C@@H](c1cccc(F)c1)C(C#N)=C(N)O2	500690	CSTCOGUCQYIRIW-AWEZNQCLSA-N	342.330	1.873	50	40	EDGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(Cl)c(O)c(OCC)c1	6958735	BNSOBTIZFSLDBW-CAOOACKPSA-N	325.752	1.197	50	40	EDGB	
CCOc1ccc(C(=O)NNC(=O)CNC(=O)CCC(C)C)cc1	65609629	FSCMXMJCCNYWFV-UHFFFAOYSA-N	335.404	1.399	50	40	EDGB	
O=C(NNC(=O)[C@@]1(Cl)C[C@H]2CC[C@H]1O2)c1cccc([N+](=O)[O-])c1	585138664	ATEDIMXUCQPWGE-JTNHKYCSSA-N	339.735	1.285	50	40	EDGB	
CCN(CCO)NC(=O)Nc1cc(-c2cc(F)cc(F)c2)nn1C	1615623657	JJSSKSVMTNUNOZ-UHFFFAOYSA-N	339.346	1.716	50	40	EDGB	
Cc1cc(C)n2nc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)nc2n1	195974	WDICYECLTUKWAM-LZYBPNLTSA-N	339.315	1.413	50	40	EDGB	
COc1ccc(Cc2nnc3n2NC(N)=C(C#N)S3)cc1OC	20723844	XSAUYTIZYSIINX-UHFFFAOYSA-N	330.373	1.187	50	40	EDGB	
CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)NNC(=O)c1ccccc1C	65564561	JYRFCYSOYDQMKC-RISCZKNCSA-N	349.456	1.704	50	40	EDGB	
Cn1nc(C(=O)NNC(=O)C[C@@H]2C=CCC2)c2ccccc2c1=O	17193102	MNCYLGLPWAAYRW-LLVKDONJSA-N	326.356	1.051	50	40	EDGB	
Cn1c(=O)n(C)c2cc(/C=N\NC(=O)Cc3ccc(F)cc3)ccc21	409231235	ISIWITSNAGZEQR-JAIQZWGSSA-N	340.358	1.709	50	40	EDGB	
Cc1occc1C(=O)NNC(=O)N1CCN(c2nccs2)CC1	45129013	ODETWLHIJKKVHU-UHFFFAOYSA-N	335.389	1.221	50	40	EDGB	
O=C1CCCC[C@H]1C[C@@]1(O)C(=O)N[C@H]2CC[C@@H](Br)C[C@H]21	5328064	CJRXUUQXBJRLPE-AATHHKPASA-N	344.249	1.929	50	40	EDGB	
COc1ccc(/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)cc1	5720397	VFLNYUCQVBEQCS-GZTJUZNOSA-N	347.396	1.124	50	40	EDGB	
C/C(CC(=O)Nc1ccc(F)cc1)=N\NC(=O)Cc1csc(N)n1	100931127	VAFRWJVSEOKORN-AWQFTUOYSA-N	349.391	1.928	50	40	EDGB	
CC(C)(C)C(=O)Nc1nnc(CC(=O)N/N=C/c2ccncc2)s1	59498836	ZSMSDGPRLHTTOV-RQZCQDPDSA-N	346.416	1.611	50	40	EDGB	
O=C(N/N=C/c1ccncc1)c1nc(O)c2cc([N+](=O)[O-])ccc2n1	4865262	VMKCKGUWWRMHCA-CAOOACKPSA-N	338.283	1.403	50	40	EDGB	
Cc1ccc(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)cc1[N+](=O)[O-]	9690715	PRHFLLPKBFFGSF-IZZDOVSWSA-N	325.332	1.801	50	40	EDGB	
COCCNC(=O)/C(C#N)=C/c1ccc(OCC(=O)NC(C)C)cc1	408789359	PEAYONWPLOGSKY-XNTDXEJSSA-N	345.399	1.260	50	40	EDGB	
Cc1c(/C=N/NC(=O)c2ccncc2)c(=O)n(-c2ccccc2)n1C	8299519	YIUQYZAGHROLIW-UDWIEESQSA-N	335.367	1.643	50	40	EDGB	
Cc1cc(C(=O)NNC(=O)c2ccc(Cl)nc2)nc(Cl)n1	2559294	CZKZKHQZFCNXMZ-UHFFFAOYSA-N	326.143	1.562	50	40	EDGB	
O=C(NNC(=O)C1CC1)c1cccn(Cc2ccc(F)cc2)c1=O	23109241	KKNZCPILQPUTAK-UHFFFAOYSA-N	329.331	1.207	50	40	EDGB	
Cc1ccc(NCC(=O)NNC(=O)CCc2ccccc2O)cc1	12543669	YOFAALFZZHWPBG-UHFFFAOYSA-N	327.384	1.893	50	40	EDGB	
CCC12CN3CCN(CC(C3)/C1=N\NC(=O)c1ccc(F)cc1)C2	100636743	GPNCRUMEQSTZJC-CAPFRKAQSA-N	330.407	1.569	50	40	EDGB	
COc1ccc(/C=N/NC(=O)C(=O)N2CCCCC2)cc1[N+](=O)[O-]	59459777	OBFQUYFRKQVGGL-MHWRWJLKSA-N	334.332	1.066	50	40	EDGB	
CC(=O)N[C@H](C(=O)NNC(=O)[C@H](C)Oc1cccc(C)c1C)C(C)C	6983753	KHAKWWUACHRAQK-BBRMVZONSA-N	349.431	1.379	50	40	EDGB	
CS(=O)(=O)N(CC(=O)N/N=C\c1cccs1)C1CCCCC1	33409322	APNKXHZZHOPPPJ-GDNBJRDFSA-N	343.474	1.793	50	40	EDGB	
CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1ccc(O)cc1O	57509113	PXACBFHWFIEGPU-GFCCVEGCSA-N	326.736	1.508	50	40	EDGB	
COc1ccc(CNC(=O)C/C(C)=N/NC(=O)c2ccccn2)cc1	100522640	SNQFPPOKKJAERO-FYJGNVAPSA-N	340.383	1.902	50	40	EDGB	
CC(C)(Br)C(=O)NNC(=O)[C@@]1(C)CC1(Cl)Cl	5528593	OMKVLMOPIXTDLB-MRVPVSSYSA-N	332.025	1.891	50	40	EDGB	
CCOP(=O)(NC(=S)NNC(=O)c1ccncc1)OCC	5575776	GBEQNYPURWKUMW-UHFFFAOYSA-N	332.322	1.372	50	40	EDGB	
Cn1/c(=N\NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)sc2ccccc21	103717484	ZPQALDXCIHSBHJ-CJVSGRIXSA-N	330.413	1.183	50	40	EDGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)ccc1O	492417	LTJTZFUVKYNWSU-CQSZACIVSA-N	326.308	1.881	50	40	EDGB	
CC[C@@H](Br)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	3156824	HQQYAJVWALMBRO-SECBINFHSA-N	330.138	1.529	50	40	EDGB	
COc1ccc(S(=O)(=O)N2CCN(C(=O)CCCl)CC2)cc1	4241446	MJCCFKHDLBLDGO-UHFFFAOYSA-N	346.836	1.157	50	40	EDGB	
COc1cc([N+](=O)[O-])cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c1O	57292043	UBQCQBMSKGSOND-HQIZRNBFSA-N	347.327	1.511	50	40	EDGB	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)C[n+]1ccccc1	2359972	APHUGDOBMSSPSC-WOJGMQOQSA-O	330.364	1.150	50	40	EDGB	
O=C(CNC1CCCCC1)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2	409381467	MLOSNFVPOAPQMM-QGMBQPNBSA-N	348.359	1.696	50	40	EDGB	
O=C(CCl)N(c1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1	40177579	WKCVVMXGWWQDRD-NSHDSACASA-N	345.804	1.217	50	40	EDGB	
COc1cccc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)c1O	3093602	OEHKOFZEIHMLPV-MKFNJMOCSA-N	341.367	1.728	50	40	EDGB	
O=C1CCCC[C@@H]1C[C@]1(O)C(=O)N[C@H]2CC[C@@H](Br)C[C@H]21	5328067	CJRXUUQXBJRLPE-XRHZXQNYSA-N	344.249	1.929	50	40	EDGB	
O=C(NNC(=O)[C@H]1CC=CC[C@H]1C(=O)O)c1cccc([N+](=O)[O-])c1	372918	CAAFBCSMAXUICZ-NWDGAFQWSA-N	333.300	1.023	50	40	EDGB	
Cc1cc(=O)oc(C)c1C(=O)NNC(=O)[C@@]1(C)C[C@H]1Br	2297422	SPNAMQGBHNPYRL-OQPBUACISA-N	343.177	1.191	50	40	EDGB	
Cc1ccc[n+](-c2[nH]c(=O)sc2/C=N/NC(=O)c2ccccc2)c1	13739364	HUFUENGPOQOSBS-UHFFFAOYSA-O	339.400	1.785	50	40	EDGB	
C=CCc1cc(/C=N/NC(C)=O)cc(OCC)c1OCC(=O)OC	409011278	GVCXLBDJMBPGOP-VCHYOVAHSA-N	334.372	1.836	50	40	EDGB	
O=C(CNC(=O)c1cccc(F)c1)N/N=C1\C(=O)Nc2ccccc21	5379052	RZJVBGBDBVGIBU-UHFFFAOYSA-N	340.314	1.028	50	40	EDGB	
O=C(/C=C\c1ccccc1)NCC(=O)N/N=C/c1ccc(O)cc1O	4823898	WSIQUHMTOGAROP-LAKPCLNZSA-N	339.351	1.378	50	40	EDGB	
CNC(=S)NNC(=O)[C@H](C)c1ncc(C(F)(F)F)cc1Cl	3134791	KZOLGXJJTRIAAT-RXMQYKEDSA-N	340.758	1.982	50	40	EDGB	
O=C(CC1CCCCC1)NNC(=O)C1CCN(c2ncccn2)CC1	65491419	TYULXYHMJWJTJH-UHFFFAOYSA-N	345.447	1.811	50	40	EDGB	
C/C(=N/OCC(=O)N/N=C1/C(=O)Nc2ccccc21)c1cccs1	6014660	ZHTOSVPNQSAKHU-JMIUGGIZSA-N	342.380	1.961	50	40	EDGB	
O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)N/N=C\c1ccccn1	13139718	VDUNRILDTLCBBG-JJFYIABZSA-N	340.427	1.864	50	40	EDGB	
COc1ccc(N([C@H](C)C(=O)NN=C(C)C)S(C)(=O)=O)cc1	19953798	VXRUHBPYNXRHMN-LLVKDONJSA-N	327.406	1.362	50	40	EDGB	
COc1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1[N+](=O)[O-]	6182327	HVVSBKQQXYOJIM-BWODNOAJSA-N	331.328	1.806	50	40	EDGB	
CC/C(=N\NC(=O)Cc1cccn1C)c1ccc(OCC(N)=O)cc1	372957	JEMPLCOBVDEVKO-CAPFRKAQSA-N	342.399	1.362	50	40	EDGB	
COc1ccc(NCC(=O)NNC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)cc1	102355207	OZGXRHIONHAHMS-HUBLWGQQSA-N	348.472	1.791	50	40	EDGB	
COCCNC(=S)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	6336973	PDNOVWMWLGYNME-SECBINFHSA-N	327.475	1.628	50	40	EDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccco1)c1ccccc1F	408784293	QEMONFACOQVKNP-CXUHLZMHSA-N	339.348	1.335	50	40	EDGB	
O=S(=O)(c1ccc(CBr)cc1)N1CCC(O)CC1	88246562	MVHDACXGSQMFEM-UHFFFAOYSA-N	334.235	1.727	50	40	EDGB	
CC[C@@H](C)[C@@H](NC(N)=O)C(=O)NNC(=S)Nc1ccccc1C	5689408	OOLXUBLLOMQEIX-BXKDBHETSA-N	337.449	1.396	50	40	EDGB	
CC(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2C(=O)O)cc1	493280	JDCTWFWJSUQQRS-UHFFFAOYSA-N	341.323	1.418	50	40	EDGB	
C/C(=C/C(=O)NNC(=O)c1ccc(Br)cc1)C(=O)O	4832255	IQVNNDLFSJJLDC-SREVYHEPSA-N	327.134	1.241	50	40	EDGB	
COC(=O)CC(C)(C)C[C@]1(OC)OC(C#N)=C(N)C1=C(C#N)C#N	100256792	RUMWYAAUBFWEFL-INIZCTEOSA-N	330.344	1.376	50	40	EDGB	
COc1cc(/C=C(\C#N)C(N)=O)ccc1OCC(=O)N1CCCC1	24100137	PEJQYBYJIAPLKM-MDWZMJQESA-N	329.356	1.089	50	40	EDGB	
CCNC(=O)C(=O)N/N=C/c1cccc(OCc2ccccc2)c1	409135578	QLKZVXNFAUCJJN-UDWIEESQSA-N	325.368	1.852	50	40	EDGB	
O=C1NC[C@@H](c2ccccc2)[C@H]1C(=O)N/N=C\c1ccc(O)cc1O	16102524	BUMQKMRXGCGGOR-OAXFRTQCSA-N	339.351	1.078	50	40	EDGB	
COc1ccc(OC)c(/C=C(/C#N)C(=O)NCCN2CCOCC2)c1	16791095	ZEEWKFBPPGJHFS-PTNGSMBKSA-N	345.399	1.059	50	40	EDGB	
COc1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccccc3)C2=O)cc1	100097101	JSVYYDIRLNVVSD-OAHLLOKOSA-N	339.351	1.262	50	40	EDGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)Nc1ccc(C)cc12	51723	XAJFCIBNLQNBGC-GOSISDBHSA-N	339.351	1.746	50	40	EDGB	
Cc1cc(C)nc(NNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)n1	21127046	OKTPFOFMRSWISN-GFCCVEGCSA-N	329.360	1.178	50	40	EDGB	
O=S(=O)(CCCCCl)NS(=O)(=O)c1ccc(Cl)cc1	3190974	YDGLOPIPMAGGBA-UHFFFAOYSA-N	346.257	1.967	50	40	EDGB	
CC(=O)N[C@H](CC(=O)NNC(=O)c1cccs1)c1ccccc1	8357613	RFMLEDFWGOXHPT-CYBMUJFWSA-N	331.397	1.777	50	40	EDGB	
CCOC(=O)c1cccc(NC(=O)CCNC(=O)[C@@H](C)Cl)c1	8733216	QWOMYEADHRFKPJ-SNVBAGLBSA-N	326.780	1.935	50	40	EDGB	
O=C(Cc1ccc(F)cc1)NNS(=O)(=O)c1ccccc1F	7388032	QHKWQJVAQVNEEM-UHFFFAOYSA-N	326.324	1.517	50	40	EDGB	
CCC(=O)NNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12	9647757	PIXZKXWXNADAIZ-UHFFFAOYSA-N	336.351	1.557	50	40	EDGB	
COc1ccc(C(=O)NNC(=O)CN2C[C@H](C)C[C@@H](C)C2)cc1OC	12938624	JAAJEPSTFCZCRS-CHWSQXEVSA-N	349.431	1.443	50	40	EDGB	
O=C(N/N=C/c1ccncc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	3664641	SHLKDTBOZOTQLN-VIZOYTHASA-N	331.244	1.368	50	40	EDGB	
COC(=O)C1=C2S[C@@H](C)C(=O)N2C(N)=C(C#N)[C@H]1c1ccco1	533672	FCNRYZREPKWHOQ-XVKPBYJWSA-N	331.353	1.419	50	40	EDGB	
O=C(NNC(=O)C1CC1)c1ccc(CNC(=O)c2cccs2)cc1	42213441	BEMNSHLKBBWMEV-UHFFFAOYSA-N	343.408	1.849	50	40	EDGB	
N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccc(F)cc1F	4476303	SMNSUERQIKUDDU-ZDUSSCGKSA-N	332.262	1.628	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)C2=NO[C@@H](c3ccccc3)C2)c(O)c1	55314555	MKPLFFMOWATFGQ-MRXNPFEDSA-N	339.351	1.979	50	40	EDGB	
O=C(NNC(=O)c1cccc[n+]1[O-])c1cc2c(s1)CCCCC2	46911877	PHFDFZBFHFVVEK-UHFFFAOYSA-N	331.397	1.725	50	40	EDGB	
O=C(NCCCCl)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1	4976090	KGUHWTZKDPZIIO-ZDUSSCGKSA-N	326.799	1.962	50	40	EDGB	
O=C(CCl)N(c1ccc(Cl)cc1)[C@H]1CS(=O)(=O)C[C@@H]1O	40177675	XQYGMWNCONMLBV-QWRGUYRKSA-N	338.212	1.070	50	40	EDGB	
Nc1nnc(SCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])s1	40947311	UJCBMVOFQXKWIM-WLRTZDKTSA-N	338.374	1.271	50	40	EDGB	
O=C(O)[C@H]1[C@H](C(=O)O)[C@H]2C[C@H]1[C@H](Br)[C@@H]2Br	100503123	HECPLCNVJSYLGU-XLCKTPMPSA-N	341.983	1.565	50	40	EDGB	
O=C(COc1ccc2ccccc2c1)NNC(=O)c1ccc(=O)[nH]c1	32845882	RLNQPLPRLIBNQK-UHFFFAOYSA-N	337.335	1.368	50	40	EDGB	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccnc3)[C@H]2C1	34367142	YKICMAHBHJDWAA-IRXDYDNUSA-N	330.395	1.827	50	40	EDGB	
COc1ccc(/C=C(/C#N)C(=O)NCCCN2CCOCC2)cc1	26687137	BWRQCZONMHAVSS-SSZFMOIBSA-N	329.400	1.441	50	40	EDGB	
COc1ccc(C=NNC(=O)Cn2cnc3ccccc3c2=O)cc1	12101347	XXWLQBZMFDRSEW-UHFFFAOYSA-N	336.351	1.555	50	40	EDGB	
O=C(CC(=O)NC1CCCCC1)N/N=C/c1ccc2c(c1)OCO2	335769	KESJQDUGCXGXDT-VCHYOVAHSA-N	331.372	1.704	50	40	EDGB	
O=C(NC[C@H]1CCCO1)C(=O)N/N=C\c1c(F)cccc1Cl	15899946	GFUCUCLKLOMBNX-YSUMALLGSA-N	327.743	1.224	50	40	EDGB	
O=C(CNC(=O)c1ccc(Br)cc1)N/N=C/c1ccc[nH]1	3117999	WIHGJLGTIRKGLO-QGMBQPNBSA-N	349.188	1.657	50	40	EDGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OC)c2)cc1	7785862	WWOMYTMXDZMCNB-UDWIEESQSA-N	341.367	1.470	50	40	EDGB	
COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccccn2)c1	59516114	SJRMISWWIFYGGS-VCHYOVAHSA-N	328.328	1.188	50	40	EDGB	
O=C(CSc1nnnn1-c1ccccc1)N/N=C/c1cccnc1	27525978	CTVGJMSVRXDQFG-LICLKQGHSA-N	339.384	1.300	50	40	EDGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(O)c([N+](=O)[O-])c1	108222557	MMAVRGVFMBIVHO-SXGWCWSVSA-N	344.283	1.901	50	40	EDGB	
Cc1cccc(O[C@H](C)C(=O)NN=C2CCN(C(N)=O)CC2)c1C	84219114	IWPGJWQWZJIZJQ-CYBMUJFWSA-N	332.404	1.717	50	40	EDGB	
CCCCN(C(=O)CCl)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	3337401	JCEJKDFNGPIJBE-UHFFFAOYSA-N	330.816	1.147	50	40	EDGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccnc2)S(C)(=O)=O)cc1	20207874	LFYNBUKQOBUWNQ-WOJGMQOQSA-N	346.412	1.306	50	40	EDGB	
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NNC(=O)C1CC1	112112833	SGEPBDBRZZEJHN-ZROIWOOFSA-N	343.343	1.622	50	40	EDGB	
CN(C)c1ccc(C(=O)N/N=c2/sc3ccccc3n2C)cn1	103112054	CJCBLTIHAAKODM-KNTRCKAVSA-N	327.413	1.947	50	40	EDGB	
CCC[C@@H](Br)C(=O)NNC(=O)c1ccccc1[N+](=O)[O-]	3274101	RVUUWEZGFLWNJR-SECBINFHSA-N	344.165	1.919	50	40	EDGB	
O=C(NNC(=O)c1ccco1)c1ccc(CN2CCCC2=O)cc1	7284805	SUABLLARQIJSIM-UHFFFAOYSA-N	327.340	1.477	50	40	EDGB	
CCOc1ccc(C(=O)NNC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1	13253008	IWAGLXIQGISQNY-KBPBESRZSA-N	332.356	1.513	50	40	EDGB	
COc1cccc(/C=N\NC(=O)CC(=O)NCc2ccccc2)c1	408754586	WNJQETOBWIQQOM-MOSHPQCFSA-N	325.368	1.852	50	40	EDGB	
COCCCNC(=O)C(=O)N/N=C/c1c(Cl)cccc1Cl	5511561	IPKAIHVWLZLMJF-CAOOACKPSA-N	332.187	1.596	50	40	EDGB	
O=C(N[C@H]1COCO[C@H]1c1ccccc1[N+](=O)[O-])C(Cl)Cl	1437095	RLUIKRNKQVLBIN-WPRPVWTQSA-N	335.143	1.929	50	40	EDGB	
NNC(=O)C12C[C@@H]3C[C@@H](C1)CC(n1nnc(-c4ccccc4)n1)(C3)C2	100772192	VYAWWKGMLLNKPT-AGCBMJJTSA-N	338.415	1.626	50	40	EDGB	
O=C(O)COc1ccccc1/C=N\NC(=O)c1ccc2c(c1)OCO2	12364057	PASPRCVGGCSEBB-LSCVHKIXSA-N	342.307	1.643	50	40	EDGB	
O=C(NNC(=O)c1ccc2c(c1)OCCCO2)c1ccc(O)cc1	12943198	DKKHGUHWJXLFIH-UHFFFAOYSA-N	328.324	1.628	50	40	EDGB	
Cc1c(C(=O)NNC(=O)Cn2ccccc2=O)oc2c(F)cccc12	7950942	WEKIEOLGMYZYQD-UHFFFAOYSA-N	343.314	1.503	50	40	EDGB	
Cc1cc(C(=O)NNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c(C)o1	26991959	DFQWWUFQCGUFOF-GFCCVEGCSA-N	333.388	1.449	50	40	EDGB	
COCCOC(=O)/C(C#N)=C/c1ccc(N2CCOCC2)cc1C	409072299	UTGPUXIWPYVXBL-FOWTUZBSSA-N	330.384	1.928	50	40	EDGB	
O=C(CCN1CCN(c2ccccc2)CC1)N/N=C\c1cccnc1	33340745	PAYCDBCAFMXABI-PGMHBOJBSA-N	337.427	1.744	50	40	EDGB	
O=C(C[C@@H]1OC(=O)c2ccccc21)NNC(=O)c1ccc(F)cc1	32975864	CVKPOBJZPFTOPZ-AWEZNQCLSA-N	328.299	1.889	50	40	EDGB	
O=C(N/N=C/c1ccccc1F)C(=O)Nc1ccc([N+](=O)[O-])cc1	58884971	XXAUEYZPQUNXTB-RQZCQDPDSA-N	330.275	1.823	50	40	EDGB	
O=C(NCc1ccncc1)C(=O)N/N=C/c1c(O)ccc2ccccc12	58884587	RHEFYHPRVXWJIJ-WSDLNYQXSA-N	348.362	1.707	50	40	EDGB	
CCOC(=O)c1c(SC)nn(C(=O)NNc2ccccc2)c1N	3851887	FNSLHXSKLQYBPO-UHFFFAOYSA-N	335.389	1.949	50	40	EDGB	biogenic
OCC[N+]12CO[C@@H]3CCC[C@H](C[C@H]1CI)[C@@H]32	5382663	OMTYTCOKKOZNSI-FJIWHJIOSA-N	338.209	1.528	50	40	EDGB	
COc1ccc(CC(=O)NNC(=O)Cc2ccc(OC)cc2)cc1	349512	YOPTWRNUJDBNNF-UHFFFAOYSA-N	328.368	1.636	50	40	EDGB	
COc1cccc(C(=O)Nc2ccccc2C(=O)NNC(C)=O)c1	32165	KKYWFKPTYBIRGZ-UHFFFAOYSA-N	327.340	1.728	50	40	EDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1)Cc1ccccc1	6453898	AZUZHQFTJNBRCB-LDADJPATSA-N	345.424	1.599	50	40	EDGB	
CC(=O)NC(=S)NNC(=O)c1ccccc1OCc1ccccc1	2064486	APAHQLZAJBOPEF-UHFFFAOYSA-N	343.408	1.921	50	40	EDGB	
O=C(N/N=C/c1cccc2c1OCCO2)[C@@H]1COc2ccccc2O1	54864393	BQCYPOCUQFRGBQ-JJLFXSABSA-N	340.335	1.748	50	40	EDGB	
O=C(N/N=C/c1ccccn1)C(=O)Nc1ccccc1Br	4698932	KIASTTPJPBVSNZ-RQZCQDPDSA-N	347.172	1.933	50	40	EDGB	
Cc1ccc(C(=O)N/N=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)cn1	4955549	WBRILBVXOJXJOZ-UHFFFAOYSA-N	325.284	1.384	50	40	EDGB	
C=CCN1C(=O)/C(=N/NC(=O)[C@@H](O)c2ccccc2)c2ccccc21	18163877	GIVRTHPHILTSOT-BJMRFWQKSA-N	335.363	1.773	50	40	EDGB	
COC(=O)CSCC[Si]12O[C@@H](C)CN(C[C@@H](C)O1)C[C@@H](C)O2	195802119	CYRVWXPKWRVJML-UPJWGTAASA-N	349.525	1.376	50	40	EDGB	
CC(=O)Nc1ccc(N(C(=O)CCl)[C@H]2C=CS(=O)(=O)C2)cc1	40177683	NJWYKTHAWXFBHK-ZDUSSCGKSA-N	342.804	1.528	50	40	EDGB	
Cc1ccc([C@@H](O)[C@@H](I)S(C)(=O)=O)cc1	96519187	UKXIQKPDVSGOHD-ZJUUUORDSA-N	340.182	1.834	50	40	EDGB	
CCOC(=O)c1ccc(C[C@H]2S/C(=C(\C#N)C(C)=O)NC2=O)cc1	100545983	BVUZYCCNQGLQCW-LBFFYKKLSA-N	344.392	1.962	50	40	EDGB	
COc1cccc(C(=O)NC(=S)NNC(=O)c2cccs2)c1	6647345	PHTWTRTVTWGUMW-UHFFFAOYSA-N	335.410	1.706	50	40	EDGB	
O=C(CCc1ccccc1)NNC(=O)COc1ccc([N+](=O)[O-])cc1	1794748	GURXOFGNYJCKMY-UHFFFAOYSA-N	343.339	1.754	50	40	EDGB	
CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2ccc(C)cc2)cc1	4195862	FHWBFLKHHVEPMK-UHFFFAOYSA-N	347.396	1.577	50	40	EDGB	
CC(=O)Oc1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1	4506828	QYVMIIPUNZUMKR-UHFFFAOYSA-N	343.295	1.595	50	40	EDGB	
CC(=O)N/N=C/c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1	408782130	WBRLZCWDDNIWFY-CXUHLZMHSA-N	335.385	1.537	50	40	EDGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(N(C)C)cc1	48572442	OFSAZSPJIGCIBI-XDHOZWIPSA-N	340.383	1.850	50	40	EDGB	
CC1(CC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)OCCO1	1093304	GWUHCAZFGRYPJL-OVCLIPMQSA-N	327.724	1.851	50	40	EDGB	
O=C(NNC(=S)N[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc2c(c1)OCO2	16184897	NJPLNIZOYZXSDJ-UMNHJUIQSA-N	333.413	1.713	50	40	EDGB	
Cc1nnc(NNC(=O)c2cc(-c3ccccc3F)on2)nc1O	30037732	PJSSKYFHDVOWHO-UHFFFAOYSA-N	330.279	1.437	50	40	EDGB	
CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2ccccc2C)cc1	143085	NNIJAEPJJTXKLO-UHFFFAOYSA-N	347.396	1.577	50	40	EDGB	
Cc1ccc(S(=O)(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1	361533	SQYDTKANAXAGAD-UHFFFAOYSA-N	335.341	1.527	50	40	EDGB	
COc1cccc(/C=N/NC(=O)C(=O)NC2CCCCC2)c1OC	59506876	SDOMEDAISZNBQR-WOJGMQOQSA-N	333.388	1.603	50	40	EDGB	
COc1ccccc1[C@H]1N[C@@H](C(=O)NN)Cc2c1[nH]c1ccccc21	36289482	VXLQVDARVWFUJG-NVXWUHKLSA-N	336.395	1.770	50	40	EDGB	biogenic
Cc1n[nH]c2c1[C@@H](c1cc3c(cc1[N+](=O)[O-])OCO3)C(C#N)=C(N)O2	5687144	FDIBZOBQVDHSNV-ZDUSSCGKSA-N	341.283	1.573	50	40	EDGB	
Cc1nc2ccccn2c1C(=O)N/N=C/c1ccc(O)c(O)c1O	8656737	VOWQXAWWPFZOGA-CAOOACKPSA-N	326.312	1.523	50	40	EDGB	
O=C(N/N=C/c1ccc(N2CCOCC2)c(F)c1)c1ccccn1	409136881	YUIAXPRVXQDBHY-UDWIEESQSA-N	328.347	1.821	50	40	EDGB	
COCCCNC(=O)/C(C#N)=C/c1ccc(OCC(=O)O)c(OC)c1	5006506	UQSBRAGKGUPTES-MDWZMJQESA-N	348.355	1.218	50	40	EDGB	
CCn1c(C)cc2c(c1=O)[C@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2	9355621	FMBFUUNVDJCICT-LJQANCHMSA-N	348.362	1.501	50	40	EDGB	
CCn1c(C)cc(C(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1C	53778257	FGYZLJGDSZXZFG-UHFFFAOYSA-N	343.383	1.971	50	40	EDGB	
Cc1nn(CCC#N)c(C)c1CCC(=O)NNC(=O)c1ccccn1	24049527	YVGCEKDQADNVNN-UHFFFAOYSA-N	340.387	1.202	50	40	EDGB	
CCOc1ccc(C(=O)NCC(=O)NN(C)c2ccccc2)cc1	8358090	OABJRVPTBQGKNB-UHFFFAOYSA-N	327.384	1.983	50	40	EDGB	
COCCNC(=S)NNC(=O)c1ccc(-n2c(C)ccc2C)cc1	16186312	HPHDKCLRGUGDFL-UHFFFAOYSA-N	346.456	1.849	50	40	EDGB	
Cc1c(C(=O)NNC(=O)[C@H]2CC(=O)N(C3CC3)C2)oc2ccccc12	29562470	BLLCOOLJLDAPGI-NSHDSACASA-N	341.367	1.513	50	40	EDGB	
O=C(CCCn1c(=O)oc2ccccc21)NNC(=O)c1ccco1	15904164	XISREKPTJYEHFZ-UHFFFAOYSA-N	329.312	1.429	50	40	EDGB	
C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)Cc1cc[nH]n1	69570917	IKAIQJXDGGAAMF-LBPRGKRZSA-N	344.415	1.865	50	40	EDGB	
CC[C@H](C)c1ccc(S(=O)(=O)NNC(=O)C(=O)NC(C)C)cc1	8704471	OOTZVHSUTQNMNY-NSHDSACASA-N	341.433	1.034	50	40	EDGB	
CC(C)C(=O)NNS(=O)(=O)c1cc2nc(Cl)ccc2s1	585138436	PPVDZWNCCDHLNB-UHFFFAOYSA-N	333.822	1.915	50	40	EDGB	
O=C(CSCCCl)NCCNC(=O)CSCCCl	4792318	UFNLPKGIMRMNLG-UHFFFAOYSA-N	333.306	1.163	50	40	EDGB	
COc1ccc(/C(C)=N\NC(=O)c2nc3nc(C)cc(C)n3n2)cc1	12446121	ZNMUFOYQITVPFO-NDENLUEZSA-N	338.371	1.904	50	40	EDGB	
CC(=O)NNC(=S)N/C=C(\C#N)C(=O)c1ccc2ccccc2c1	104304897	RTWVCJYIMBPGLW-XNTDXEJSSA-N	338.392	1.945	50	40	EDGB	
CCCCC(=O)NN/C=C1/C(=O)N(CCCC)C(=S)N=C1O	4311250	FLHZCGJVRKDZHH-MDZDMXLPSA-N	326.422	1.565	50	40	EDGB	
Cc1cc(/C=C(\C#N)C(=O)OCC(N)=O)c(C)n1C[C@@H]1CCCO1	6388609	ZLQQSPUWYUEVIQ-LULHVWEPSA-N	331.372	1.219	50	40	EDGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)NCc2cccnc2)cc1	4688492	RKTIWFDFWNDZHZ-FYJGNVAPSA-N	338.367	1.413	50	40	EDGB	
CCN(CC)[C@@H]1S[C@H]2CS(=O)(=O)[C@@H](Br)[C@@H]2S1	28615236	VMYACRIMMOHSLT-JQCXWYLXSA-N	346.337	1.978	50	40	EDGB	
CC(C)n1nc(C(=O)NNC(=O)C2CCC2)c2ccccc2c1=O	12941448	XGBDSQWQHITKEU-UHFFFAOYSA-N	328.372	1.539	50	40	EDGB	
O=C(NNC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1ccc(Cl)cc1	409383299	VVOFYOPYLIDASN-XRRVDJEJSA-N	334.759	1.624	50	40	EDGB	
COC(=O)c1ccc(OCC(=O)NN=Cc2ccccc2O)cc1	239386657	PVYYJSUTYAAOBD-UHFFFAOYSA-N	328.324	1.708	50	40	EDGB	
C/C(=C(C#N)\C(N)=C\C(=C(C#N)C#N)c1nonc1C)c1nonc1C	97962622	KCGPZNSLOYMRQV-NOLNIZQOSA-N	348.326	1.710	50	40	EDGB	
O=C(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)NCc1ccccc1	3057600	NNACOCMVQWKKOK-XDHOZWIPSA-N	340.339	1.751	50	40	EDGB	
Cc1scc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c1C	102198206	KKPULQRIIHFBBH-UKJIMTQDSA-N	334.397	1.649	50	40	EDGB	
CCOC(=O)C1CCC2(CC1)C(C#N)=C(N)Oc1n[nH]c(COC)c12	4631698	LTERCJKDTQZAQH-UHFFFAOYSA-N	346.387	1.633	50	40	EDGB	
COc1cc(/C=N\NC(=O)c2cccnc2)c([N+](=O)[O-])cc1OC	33319393	YFIHAAYMBBZXGD-MFOYZWKCSA-N	330.300	1.771	50	40	EDGB	
CC(C)NC(=O)COc1ccc(/C=N\NC(=O)c2ccco2)cc1	83261725	JNDGPFYCBHYNOQ-ZDLGFXPLSA-N	329.356	1.947	50	40	EDGB	
COc1ccc(CC(=O)N/N=C/c2ccc(OCC(=O)O)cc2)cc1	573190	OBRRVVSIPUPWQG-YBFXNURJSA-N	342.351	1.851	50	40	EDGB	
C=CCN1C(=O)NC(=O)/C(=C(/C)NNC(=O)CCCCCC)C1=O	9358999	MYQROYQGPWOPPR-ACCUITESSA-N	336.392	1.116	50	40	EDGB	
CC(C)NC(=O)C(=O)NNC(=O)Nc1ccc(Cl)c(Cl)c1	6939456	ZOKLXCSJHNMMHQ-UHFFFAOYSA-N	333.175	1.671	50	40	EDGB	
CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\Nn1cnnc1	16693987	NTDWZFXXYWJUFJ-NVNXTCNLSA-N	334.339	1.115	50	40	EDGB	
C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1	5494616	LLCIHDGROZEXKW-ZMRQWQKBSA-N	328.332	1.482	50	40	EDGB	
CCCNC(=O)C/C(C)=N/NC(=O)C(=O)Nc1ccc(CC)cc1	4416812	NWWMOZZRCVIDOS-UDWIEESQSA-N	332.404	1.596	50	40	EDGB	
O=C(NNC1=NS(=O)(=O)c2ccccc21)c1ccccc1Cl	87871	YWIBHQUWJOZPOK-UHFFFAOYSA-N	335.772	1.724	50	40	EDGB	
CCc1c(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)csc1C	101518964	LHKWKBRAKVJWPX-ZNIXKSQXSA-N	348.424	1.903	50	40	EDGB	
C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NNC(=O)c1cn[nH]n1	69663072	WYDWJPBKKVFGSU-ZCFIWIBFSA-N	344.158	1.340	50	40	EDGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN2CCOCC2)c(OC)c1	408735546	SAVMPAXJXRSYQV-CPNJWEJPSA-N	348.447	1.324	50	40	EDGB	
N=C(CSS(=O)(=O)O)NCCCc1nc2ccccc2[nH]1	31723267	GVYPBNFPMMGCMP-UHFFFAOYSA-N	328.419	1.598	50	40	EDGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(C)cc2)cc1	3058226	JRBVGHLZCHOPSN-UDWIEESQSA-N	325.368	1.770	50	40	EDGB	
O=C(CNC(=O)c1ccc(F)cc1)N/N=C1\C(=O)Nc2ccccc21	5731649	UHFHABHRSVQHRX-UHFFFAOYSA-N	340.314	1.028	50	40	EDGB	
COc1ccccc1/C=C/C(=O)NCC(=O)N/N=C(/C)c1ccco1	4814831	WYNDJTBNUFDNJE-FGKKRVJFSA-N	341.367	1.958	50	40	EDGB	
CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)c2ccco2)CC1	8238631	PXLZITLPVYVMGO-UHFFFAOYSA-N	337.376	1.688	50	40	EDGB	
CC(C)(C)Oc1ccc(S(=O)(=O)NNC(=O)C2CCCC2)cn1	585140326	CIDAVTQXZVEDDG-UHFFFAOYSA-N	341.433	1.759	50	40	EDGB	
C[C@@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)c1ccc(F)cc1)CS2	12982439	WRYYKATUNFPWAV-IAQYHMDHSA-N	337.376	1.041	50	40	EDGB	
C[C@@H](Nc1cccc(Cl)c1)c1nnc(SCC(=O)NN)n1C	951726565	BTYMIUCWNUVPCS-MRVPVSSYSA-N	340.840	1.724	50	40	EDGB	
CC(=O)Nc1ccc(Cl)cc1[C@@H](NCC(=O)NN)c1ccccc1	55145972	FQIHYXDZYMOYDC-KRWDZBQOSA-N	346.818	1.967	50	40	EDGB	
N#C/C(=C\c1ccc(OCC(N)=O)cc1)C(=O)NCCc1ccccc1	59133327	CDHJXAJGGBHAQI-SFQUDFHCSA-N	349.390	1.817	50	40	EDGB	
COC(=O)CC1=C(C(=O)OC)[C@@H](c2cccs2)C(C#N)=C(N)O1	499817	FZUZMYPPIATCTR-GFCCVEGCSA-N	334.353	1.546	50	40	EDGB	
COc1cc(/C=N/NC(N)=O)ccc1OCc1ccc(C(=O)O)cc1	563958	LADFHKDUGBBQFA-DJKKODMXSA-N	343.339	1.975	50	40	EDGB	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc1	3350150	MOPYQTAYOSIIGM-ZIAGYGMSSA-N	334.372	1.412	50	40	EDGB	
COc1cc(OC)cc(C(=O)N/N=C(\C)Cn2cnc([N+](=O)[O-])n2)c1	25581647	TVILYJHRMDYHGF-CXUHLZMHSA-N	348.319	1.009	50	40	EDGB	
Cc1cccc(C(=O)NNC(=O)CCC(=O)NCc2ccccc2)c1	4523977	LUDWOKSLBZAEJA-UHFFFAOYSA-N	339.395	1.853	50	40	EDGB	
CN(C)C(=O)/C(C#N)=C/c1ccc(O)c(I)c1	4704992	KFADYUGLUJYTQU-WEVVVXLNSA-N	342.136	1.992	50	40	EDGB	
Cn1cc(C(=O)NNS(=O)(=O)c2ccc(F)cc2)c2ccccc21	7907328	NYTXJHMEIPGKGO-UHFFFAOYSA-N	347.371	1.941	50	40	EDGB	
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NNC(=O)c1ccoc1C	16514896	XVVKZXGXJOYMNQ-UHFFFAOYSA-N	342.355	1.159	50	40	EDGB	
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(N)=O)cc1	2077101	PKTTZJKRQWHALA-LICLKQGHSA-N	333.369	1.765	50	40	EDGB	
COc1ccc(CNC(=O)C/C(C)=N/NC(=O)c2cnccn2)cc1	100633962	PRYQJPXIVFTEMO-CIAFOILYSA-N	341.371	1.297	50	40	EDGB	
CCOC(=O)NNC(=O)c1cc(OC)cc(Br)c1OC	36657184	WLWAZFZSZHAPAY-UHFFFAOYSA-N	347.165	1.857	50	40	EDGB	
NNC(=O)/C(NC(=O)c1ccccc1)=C(\N)c1ccc(Cl)cc1	31829922	GDROIRRDKDPMSV-BUHFOSPRSA-N	330.775	1.387	50	40	EDGB	
CC(C)(C)CC(=O)NNS(=O)(=O)N=[S@@](C)(=O)c1ccccc1	585118923	ILBIWQYNWVNQKB-NRFANRHFSA-N	347.462	1.445	50	40	EDGB	
COc1ccc2c(c1OC)C(=O)O[C@@H]2NNC(=O)c1ccccc1F	5375432	JXVANSPYPITYQW-INIZCTEOSA-N	346.314	1.947	50	40	EDGB	
CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1ccc(Cl)c(C(=O)O)c1	16694079	RPVXCNDGFROXHD-WDZFZDKYSA-N	331.715	1.830	50	40	EDGB	
CCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccn2)cc1	17441233	QHPNDFMENXROJQ-XDHOZWIPSA-N	326.356	1.959	50	40	EDGB	
CS(=O)(=O)[C@@H](I)[C@@H](O)c1cccc(N)c1	96519183	NEFGSXVCXLLXRT-DTWKUNHWSA-N	341.170	1.108	50	40	EDGB	
C/C(N)=C(\C#N)C(=O)CSc1ccc(-n2nc(C)cc2C)nn1	104842486	LTRRNBARIKAUMA-QXMHVHEDSA-N	328.401	1.697	50	40	EDGB	
O=C(O)COc1ccc(/C=N/NC(=O)CNc2ccccc2)cc1	7008980	NUKYHQOCKRPJKB-VXLYETTFSA-N	327.340	1.712	50	40	EDGB	
O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1c(O)ccc2ccccc12	7813093	CECGJMPWMGANRI-AYPRBGQRSA-N	341.367	1.291	50	40	EDGB	
COc1cc(/C=N/NC(C)=O)cc(I)c1O	7946327	YVAVHXULUQJDEE-LFYBBSHMSA-N	334.113	1.475	50	40	EDGB	
Cc1ccsc1C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12	12598782	YRBWAOZBFDCJHZ-UHFFFAOYSA-N	342.380	1.378	50	40	EDGB	
C=CCc1cc(C(=O)NNC(=O)c2cccnc2)cc(OC)c1OC	12752764	GJVCOYBEJPIVQD-UHFFFAOYSA-N	341.367	1.902	50	40	EDGB	
CCOC(=O)C1=C(CSC#N)OC(N)=C(C#N)[C@H]1c1cccnc1	13284805	HCNDDJZFYIFPLA-CYBMUJFWSA-N	342.380	1.921	50	40	EDGB	
COc1ccc(OCC(=O)N/N=C/c2cc(OC)ccc2O)cc1	6170508	GCGYPURINOBJSY-VCHYOVAHSA-N	330.340	1.939	50	40	EDGB	
COc1cccc(/C=N/NC(=O)CNC(=O)c2ccccc2F)c1O	4824128	BJBDTJZYTFSXPN-AWQFTUOYSA-N	345.330	1.420	50	40	EDGB	
O=C(Cl)c1cc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)ccc1F	96345847	YMOJBXUYDGUEBE-QMMMGPOBSA-N	340.781	1.166	50	40	EDGB	
CCOC(=O)N1CCC(=NNC(=O)Cn2nnc3ccccc32)CC1	7781618	RKMUMNHCCQMASU-UHFFFAOYSA-N	344.375	1.156	50	40	EDGB	
Cc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)cn1	3080461	KMWODDCFQBEHAA-FRKPEAEDSA-N	345.271	1.676	50	40	EDGB	
COc1cccc(C(=O)N[C@]2(C(F)(F)F)C(=O)NC(C)=C2C#N)c1	16973048	ZWJUAMCIUQOKDN-AWEZNQCLSA-N	339.273	1.653	50	40	EDGB	
CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)c2ccoc2)CC1	61500738	QPDWFVRMBJXJNK-UHFFFAOYSA-N	337.376	1.688	50	40	EDGB	
CCOC(=O)NNS(=O)(=O)c1ccc(Br)s1	16129919	KEWZVECPUHMHSJ-UHFFFAOYSA-N	329.197	1.450	50	40	EDGB	
COc1ccc(N/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)c([N+](=O)[O-])c1	5247849	YUKSVBUUAIWNDK-WQLSENKSSA-N	342.311	1.738	50	40	EDGB	
COc1ccc2c(c1OC)C(=O)O[C@H]2NNC(=O)c1ccccc1O	5375403	QNJLXSLSIKISDI-MRXNPFEDSA-N	344.323	1.513	50	40	EDGB	
COc1ccc([C@@H]2C(C#N)(C#N)[C@]2(C#N)C(N)=C(C#N)C#N)cc1OC	14944937	QGKWENUGZHOGNP-QAPCUYQASA-N	344.334	1.605	50	40	EDGB	
O=C(NNC(=O)C1CC1)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2	44278729	YWJQXKKYOVXYTN-UHFFFAOYSA-N	346.337	1.810	50	40	EDGB	
O=C(NCc1ccco1)[C@@H]1[C@@H]2C[C@@H]3[C@@H]1C(=O)O[C@@H]3[C@@H]2Br	8475519	PSQXIPJKVJKDLH-ZYQGQYISSA-N	340.173	1.467	50	40	EDGB	
Cc1cc(N2CCC(C(=O)NN)CC2)nc(-c2ccc(F)cc2)n1	223465989	ASOQPUUMSKPYNA-UHFFFAOYSA-N	329.379	1.797	50	40	EDGB	
COc1nn([C@@H](C)C(=O)N/N=C/c2ccc(F)s2)cc1[N+](=O)[O-]	252509676	YTHSYTBKDVLJIU-ZKHZFVRRSA-N	341.324	1.712	50	40	EDGB	
O=C(NNC(=S)N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc2c(c1)OCO2	16184895	NJPLNIZOYZXSDJ-HOSYDEDBSA-N	333.413	1.713	50	40	EDGB	
CC1(C)C[C@@H](CNC(=O)CI)C(C)(C)N1O	3051787	HLJSHMOXSZTSIM-QMMMGPOBSA-N	340.205	1.806	50	40	EDGB	
CCO[C@H](CC)C(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1	48285897	DQOZBDKFKMMLSX-LLVKDONJSA-N	340.376	1.289	50	40	EDGB	
N#C/C(=C\c1c(Oc2ccccc2)nc2ccccn2c1=O)C(N)=O	4205302	MVJLPLZIKBNALK-ZRDIBKRKSA-N	332.319	1.879	50	40	EDGB	
O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1ccccc1O	408972426	BPHWWTLCBNVVGY-YODDIOPGSA-N	337.379	1.858	50	40	EDGB	
O=C(CCNC(=O)c1ccccc1)N/N=C/c1ccccc1C(=O)O	8048387	KHQGAILREDLWQU-UDWIEESQSA-N	339.351	1.655	50	40	EDGB	
C[C@H](CCl)Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C	4314855	RJKZNAREVSBDOK-ZCFIWIBFSA-N	349.616	1.071	50	40	EDGB	
O=C(CCl)Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O	11665736	XCXFBCPWUXYTSK-UHFFFAOYSA-N	338.154	1.545	50	40	EDGB	
CC/C(=N\NC(N)=O)c1ccc(OCC(=O)N2CCCC2)c(OC)c1	13582279	GLHSSXZJMQWTGY-CPNJWEJPSA-N	348.403	1.479	50	40	EDGB	
O=C(CNC(=O)c1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-]	1883277	RFNKVLNQUWULPU-VCHYOVAHSA-N	326.312	1.475	50	40	EDGB	
O=C(/C=C/c1cccs1)NNC(=O)[C@@H]1COc2ccccc2O1	12917613	AIPKXZCNSQWUCS-NPQIQWPPSA-N	330.365	1.749	50	40	EDGB	
CS(=O)(=O)[C@@H](I)C(=O)c1ccccc1F	96517924	FJWMGBWNCKKFEL-SECBINFHSA-N	342.129	1.814	50	40	EDGB	
CCOC(=O)N1CCC2(CC1)C(C#N)=C(S)N(C)C(=O)[C@@H]2C#N	483904	UFTQOBTYTIVDBR-JTQLQIEISA-N	334.401	1.502	50	40	EDGB	
COc1cccc(OC)c1/C=N/NC(=O)C(=O)Nc1ccccc1F	6451805	VIFMLHJGCOSNFR-VXLYETTFSA-N	345.330	1.932	50	40	EDGB	
O=C(Cc1ccc2c(c1)OCCO2)NNC(=O)c1ccccc1F	8273740	AGGUCZRDFJSBPG-UHFFFAOYSA-N	330.315	1.601	50	40	EDGB	
Cc1ccccc1C(=O)NNC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12	57677042	AFKKMFXTCSRNKO-LRDDRELGSA-N	333.413	1.210	50	40	EDGB	
CC(C)(Br)C(=O)NNC(=O)[C@]1(C)C[C@@H]1Br	2333983	CCWXUTKBLLCIEB-SSDLBLMSSA-N	342.031	1.481	50	40	EDGB	
O=C(CCCNC(=O)c1ccsc1)NNC(=O)Cc1ccccc1	12943418	CTJLGKOGPSLCDJ-UHFFFAOYSA-N	345.424	1.648	50	40	EDGB	
Cc1cc(C)nc(NNC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)n1	65538292	DWWPRVKHVIPXEL-KRWDZBQOSA-N	326.356	1.708	50	40	EDGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)c(O)c(OC)c1	409248924	HYEKIZDXWWTGRY-LBBJYAOWSA-N	327.768	1.419	50	40	EDGB	
CCO[Si](OCC)(OCC)c1ccc(OC)c(OC)c1OC	196154115	GISDPIDGARJGOW-UHFFFAOYSA-N	330.453	1.968	50	40	EDGB	
COc1ccc(CC(=O)NNC(=O)COc2ccc(OC)cc2)cc1	504502	NTKMGMDFNNWVNK-UHFFFAOYSA-N	344.367	1.473	50	40	EDGB	
COc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)OC2=C1C(=O)CCC2	5204924	RYGZTULVNJOOCP-GOSISDBHSA-N	337.335	1.616	50	40	EDGB	
COCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2cccc(OC)c2)C1=O	9423066	SCJIDPNBZPSZGK-WJDWOHSUSA-N	341.367	1.846	50	40	EDGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc(S(=O)(=O)O)o2)cc1	2193787	SDKFPMQOVPGFBT-LZYBPNLTSA-N	337.357	1.397	50	40	EDGB	
O=C(NNC(=O)c1ccc(=O)n(Cc2ccccc2)c1)c1ccccc1	16839255	QHJFNEBADUCVMT-UHFFFAOYSA-N	347.374	1.971	50	40	EDGB	
O=C(NNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1cccs1	52411074	AVNHVUDHCFWEHZ-NSHDSACASA-N	329.381	1.562	50	40	EDGB	
Cc1ccc(-c2nnc(CCC(=O)NNC(=S)NC(C)C)o2)cc1	24274346	JUPVNHLFRWRBBE-UHFFFAOYSA-N	347.444	1.881	50	40	EDGB	
C[C@@H](C(=O)N/N=C/c1ccncc1)N(c1ccccc1)S(C)(=O)=O	408906019	CDRMRPHYMNHITK-HTMJNSLASA-N	346.412	1.386	50	40	EDGB	
Cn1ncc(Br)c1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2	253396988	FHGVYTDWVPFCLI-LLVKDONJSA-N	349.188	1.997	50	40	EDGB	
CCCCC(=O)NN/C=C1\C(=O)N(CCCC)C(=S)N=C1O	1793752	FLHZCGJVRKDZHH-KTKRTIGZSA-N	326.422	1.565	50	40	EDGB	
Cc1ccc(C(=O)NCC(=O)N/N=C/c2cccs2)cc1[N+](=O)[O-]	4079651	OJBUTQFUORWNFV-CAOOACKPSA-N	346.368	1.845	50	40	EDGB	
COc1ccc(C(=O)/C=C(\O)C(=O)NNC(=O)c2ccccc2)cc1	100775920	PFOIFRSQSRPNDS-WJDWOHSUSA-N	340.335	1.781	50	40	EDGB	
Cc1ccc[n+](-c2[nH]c(=O)sc2/C=N/NC(=O)c2cccnc2)c1	13739446	KMLZFJWTDBRFRC-UHFFFAOYSA-O	340.388	1.180	50	40	EDGB	
COc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)OC2=C1C(=O)CCC2	5204921	RYGZTULVNJOOCP-SFHVURJKSA-N	337.335	1.616	50	40	EDGB	
COc1ccccc1N(CC(=O)NN=C1CCCC1)S(C)(=O)=O	4616900	BQBDZMZQLUQGDN-UHFFFAOYSA-N	339.417	1.507	50	40	EDGB	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccnc3)[C@@H]2C1	4635593	YKICMAHBHJDWAA-SJORKVTESA-N	330.395	1.827	50	40	EDGB	
CCOc1cccc(/C=N\NC(=O)c2cccnc2)c1OCC(=O)O	30956202	ZRIWOQWZDGNZEX-GRSHGNNSSA-N	343.339	1.708	50	40	EDGB	
COc1ccc(C)c(N(C(=O)CCl)[C@H]2CCS(=O)(=O)C2)c1	40177633	RKZSJCVIEUOHRL-NSHDSACASA-N	331.821	1.763	50	40	EDGB	
CS(=O)(=O)[C@@H](I)[C@H](O)c1ccc(N)cc1	96519169	OFYPPZLAJPIEMA-RKDXNWHRSA-N	341.170	1.108	50	40	EDGB	
CCS(=O)(=O)[C@@H](Br)C(=O)c1ccc([N+](=O)[O-])cc1	96517872	LPHOXZFZVZBKKR-SNVBAGLBSA-N	336.163	1.933	50	40	EDGB	
O=C(Nc1ccc2ncccc2c1)N[C@H]1CS(=O)(=O)C[C@@H]1Cl	575424026	JNIOKWGMMNYEJS-AAEUAGOBSA-N	339.804	1.761	50	40	EDGB	
N#C/C(=C\N1CCC(C(N)=O)CC1)C(=O)Nc1cccc(Cl)c1	30791217	NSUVWCASRLSRTJ-ZRDIBKRKSA-N	332.791	1.883	50	40	EDGB	
O=C(NN1C(=O)[C@@H](Cl)[C@@H]1c1ccccc1O)c1ccccc1O	1633497	HSFPEPKEBLETNN-KBPBESRZSA-N	332.743	1.934	50	40	EDGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1F	7782529	BBIATQUJQOTQQF-RQZCQDPDSA-N	330.275	1.823	50	40	EDGB	
O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1	2055812	DQDSJHOOGKAEHO-UHFFFAOYSA-N	330.256	1.578	50	40	EDGB	
O=C(CSc1nnc2ccccn12)NNC(=O)c1cccs1	3376611	SVCMZDYHGXDCRR-UHFFFAOYSA-N	333.398	1.344	50	40	EDGB	
O=C(O)COc1ccccc1/C=N/NC(=O)COc1ccccc1F	3578418	ZOOJPOONPWUMCK-DJKKODMXSA-N	346.314	1.818	50	40	EDGB	
COc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c(O)c([N+](=O)[O-])c1	409264761	PYACBORLOISMPP-ZUZCKIMGSA-N	345.311	1.493	50	40	EDGB	
NC(=O)Cn1cc(/C=N/NC(=O)Cc2ccccc2)c2ccccc21	33957597	MHIPEYOZBCYHPJ-SRZZPIQSSA-N	334.379	1.819	50	40	EDGB	
OCC[N+]12CO[C@@H]3CCC[C@@H](C[C@@H]1CI)[C@@H]32	5382681	OMTYTCOKKOZNSI-QYZIMEMKSA-N	338.209	1.528	50	40	EDGB	
CC(C)OC[C@@H](O)CCC(=O)NNC(=S)Nc1ccccc1	2239839	FFDBBCDFURTMAN-ZDUSSCGKSA-N	325.434	1.570	50	40	EDGB	
COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccco2)cc1	2316501	OXJJVSUMNJBHTR-RMKNXTFCSA-N	345.380	1.637	50	40	EDGB	
O=C(NNS(=O)(=O)CCOc1ccc(F)cc1)c1ccccc1	71914684	DUWYAOCPEVNOSZ-UHFFFAOYSA-N	338.360	1.469	50	40	EDGB	
Cc1ccc2c(c1)/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)N2	32608401	XYILVVDZDZKQRL-UHFFFAOYSA-N	338.323	1.918	50	40	EDGB	
COc1cccc(C(=O)N2CCN(C(=O)C3CC(Cl)C3)CC2)c1	585132502	YKZTWMZEYPAXGD-UHFFFAOYSA-N	336.819	1.997	50	40	EDGB	
CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1cn(CC)nc1C	20312953	QPBHNSYEZAUEEK-GFCCVEGCSA-N	326.784	1.621	50	40	EDGB	
CC(=O)N[C@@H](CC(=O)OCC(=O)/C(C#N)=C(/C)N)c1ccccc1	103135166	QTJAZOYZUQQKLQ-SZGZABIGSA-N	329.356	1.122	50	40	EDGB	
COCCCNC(=O)CC(=O)N/N=C/c1c(F)cccc1Cl	59444800	RLHZIRORAWJEDX-GIJQJNRQSA-N	329.759	1.472	50	40	EDGB	
COc1ccc(C(=O)N/N=C2/C(=O)Nc3c(OC)cccc32)cc1	59472654	BOVFIPUXOVXDCU-UHFFFAOYSA-N	325.324	1.790	50	40	EDGB	
CCOC(=O)C1=C(C(=O)OCC)[C@@H](c2ccccc2)C(C#N)=C(N)O1	4843996	ZVCWKJRMRZXPFL-ZDUSSCGKSA-N	342.351	1.875	50	40	EDGB	
O=C(Nc1ccc(F)cc1)[C@H](Cl)N1CCN(c2ncccn2)CC1	34657304	OZIIWZDYLYWUIA-CQSZACIVSA-N	349.797	1.941	50	40	EDGB	
O=C(CC(=O)NC1CCCCC1)N/N=C/c1ccc([N+](=O)[O-])cc1	335780	MEIRWPQPUNCXMO-GZTJUZNOSA-N	332.360	1.884	50	40	EDGB	
O=C(CCn1nnc2ccccc21)N/N=C/c1cccc([N+](=O)[O-])c1	252526	QMXFAUFTUSILAW-GZTJUZNOSA-N	338.327	1.880	50	40	EDGB	
N#C/C(=C\c1ccc(OCC(N)=O)cc1)C(=O)NCc1ccccc1	571792	JLXOTHNSGMKVEZ-MHWRWJLKSA-N	335.363	1.774	50	40	EDGB	
O=C(NNC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O)c1cccc(Cl)c1	104102903	YNIJWSOZPHETTQ-WTTBSCSTSA-N	336.775	1.848	50	40	EDGB	
CC(=O)N[C@@H](Cc1ccccc1)C(=O)NN(CCCl)CCCl	1592365	ISNAOUSOTIPFLE-AWEZNQCLSA-N	346.258	1.545	50	40	EDGB	
Cn1cccc1CC(=O)NNC(=O)c1ccccc1Br	3306778	VWEBGMHGPCNRGI-UHFFFAOYSA-N	336.189	1.791	50	40	EDGB	
Cc1cc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)[nH]n1	6295236	NCHCYCXAJCUBAS-UHFFFAOYSA-N	330.388	1.856	50	40	EDGB	
COc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)c(O)c1	409391258	INVUIPJRCZBVKT-LZYBPNLTSA-N	331.284	1.779	50	40	EDGB	
Cc1cc(C(=O)NNC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)c(C)o1	8143787	QLRKPHXSTVQFCB-AWEZNQCLSA-N	347.371	1.705	50	40	EDGB	
CCN(CC)[C@H]1S[C@@H]2[C@H](Br)S(=O)(=O)C[C@H]2S1	242688290	VMYACRIMMOHSLT-BZNPZCIMSA-N	346.337	1.978	50	40	EDGB	
COc1ccc2o/c(=N\NC(=O)c3ccccc3)c(C(N)=O)cc2c1	187610	BRTLRGAYAIYNPR-UZYVYHOESA-N	337.335	1.786	50	40	EDGB	
CCc1c(OC)ccc(/C=N/NC(=O)CN2CCOCC2)c1OC	19797771	NUTBTCRZDYWPHQ-WOJGMQOQSA-N	335.404	1.049	50	40	EDGB	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCCO2)c(C)n1-c1ccccn1	32261437	UAXKFUDGYZEBHZ-AWEZNQCLSA-N	328.372	1.429	50	40	EDGB	
O=C(CSc1ccncc1)NNC(=O)[C@H]1COc2ccccc2O1	41781287	NJGPGLRAEXYILJ-CQSZACIVSA-N	345.380	1.161	50	40	EDGB	
COc1ccc(CC(=O)NNS(=O)(=O)c2ccc(F)cc2)cc1	320614	FOVKPDMKZMREDV-UHFFFAOYSA-N	338.360	1.387	50	40	EDGB	
CCOc1ccc(/C(C)=N/NC(=O)CC[C@@H]2C(=O)NN=C2C)cc1	100233230	RMHBHBDQBQAZSB-LZNAANCOSA-N	330.388	1.828	50	40	EDGB	
NC(=O)COc1ccccc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1	409265053	MKKWOGRMTBEECU-NVMNQCDNSA-N	342.311	1.223	50	40	EDGB	
O=C(Cn1cnc2ccccc21)N/N=C/c1cc([N+](=O)[O-])ccc1O	38320165	JDWWOMJJLGRRAZ-QGMBQPNBSA-N	339.311	1.800	50	40	EDGB	
CCOC(=O)Cc1[nH]nc2c1[C@H](c1ccsc1)C(C#N)=C(N)O2	13555971	GTBFSKHLGOJJIX-GFCCVEGCSA-N	330.369	1.795	50	40	EDGB	
NC(=O)N[C@@H](CC(=O)NNC(=O)C1CCCCC1)c1cccs1	11148353	IIZZGSLJDKIWLZ-NSHDSACASA-N	338.433	1.575	50	40	EDGB	
CN(C)c1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccon2)cc1	11680240	NCLFXEYPEMWLOH-UKTHLTGXSA-N	340.339	1.829	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1	3555141	VVPWFDACXQHSMC-UHFFFAOYSA-N	336.351	1.317	50	40	EDGB	
N#Cc1ccccc1OCC(=O)NNC(=O)[C@H]1Cc2ccccc2O1	7961070	BOBQSNKKLGQQDS-MRXNPFEDSA-N	337.335	1.088	50	40	EDGB	
COc1cc(/C=N/NC(=O)c2ccncc2)ccc1O[C@H](C)C(=O)O	409011204	MTUYTUFCTRHNLJ-VURRPDKYSA-N	343.339	1.706	50	40	EDGB	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)Nc1ccc(F)cc12	809465	STJMLUSEZLWLDK-MRXNPFEDSA-N	329.287	1.187	50	40	EDGB	
CC(C)(Br)C(=O)NNC(=O)[C@@]1(C)C[C@@H]1Br	2333984	CCWXUTKBLLCIEB-CDUCUWFYSA-N	342.031	1.481	50	40	EDGB	
O=C(COC(=O)Cc1ccc(Cl)cc1)NNC(=O)c1ccccc1	3402327	XESZJEIDVHHSFJ-UHFFFAOYSA-N	346.770	1.887	50	40	EDGB	
O=C(NNC(=O)[C@@H]1CCCO1)c1cccnc1Nc1ccccc1F	42968494	QMXDCTZXMPMSMR-AWEZNQCLSA-N	344.346	1.904	50	40	EDGB	
COCCn1c(C)cc2c(c1=O)[C@H](c1cccnc1)C(C#N)=C(N)O2	8617898	VRDXBTGSGJGWTD-OAHLLOKOSA-N	338.367	1.416	50	40	EDGB	
O=C(NNC(=O)[C@H]1CCCO1)c1ccc(N2CCCCCC2)nc1	75920888	RDVZVCFHIPZQEU-CQSZACIVSA-N	332.404	1.402	50	40	EDGB	
Cn1nc([N+](=O)[O-])cc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2	253402388	OHUSJANJOGNCEF-CYBMUJFWSA-N	343.343	1.779	50	40	EDGB	
COc1ccccc1OCC(=O)NNC(=O)COc1ccccc1F	5823593	ICOOXWHGIIERNK-UHFFFAOYSA-N	348.330	1.440	50	40	EDGB	
O=C(O)COc1ccc(/C=N/NC(=O)c2cccnc2)cc1Cl	573921	CYAYRBXEHGANJU-CNHKJKLMSA-N	333.731	1.962	50	40	EDGB	
CC[C@H](Br)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	3156823	HQQYAJVWALMBRO-VIFPVBQESA-N	330.138	1.529	50	40	EDGB	
CS(=O)(=O)N1C[C@@H]2C[C@@H](Br)[C@@H](Br)C[C@@H]21	104278119	UQJJYSWVHVITOL-YWIQKCBGSA-N	347.072	1.567	50	40	EDGB	
COc1ccc(C(=O)NNC(=O)c2ccc3nc(N)sc3c2)cc1	9206336	KNYSIKYIVUTPPL-UHFFFAOYSA-N	342.380	1.962	50	40	EDGB	
CC1=C(C)C[C@H](C(=O)NNC(=O)c2cccc(O)c2)[C@@H](C(=O)O)C1	5465415	KLCDWFXUOXVPRF-KBPBESRZSA-N	332.356	1.600	50	40	EDGB	
COc1ccc(C(=O)NCC(=O)NNC(=O)c2ccc(C)cc2)cc1	15904000	KRYWUTMOWSKKIM-UHFFFAOYSA-N	341.367	1.195	50	40	EDGB	
Cc1cccc2cc(C(=O)NNC(=O)CN3CCCC3=O)sc12	585137603	IWRSCRNZWOYCNX-UHFFFAOYSA-N	331.397	1.593	50	40	EDGB	
COc1ccc(OCC(=O)N/N=C/c2cccc(OC)c2O)cc1	499070	JKCIGNNAEWUHGE-VCHYOVAHSA-N	330.340	1.939	50	40	EDGB	
CCOc1cc(/C=N/NC(N)=O)cc(I)c1O	13747002	YNMXJZRBJYLPSP-WLRTZDKTSA-N	349.128	1.398	50	40	EDGB	
CC(C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1O	5384415	BCQAMYIQVUBYDP-MKMNVTDBSA-N	328.166	1.129	50	40	EDGB	
Cc1ccc(C(=O)NN[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1	100097046	DBTLZDYMVNCUFB-OAHLLOKOSA-N	341.342	1.701	50	40	EDGB	
CC(=O)NNC(=O)CSc1nnc2c(C)cc3ccccc3n12	1223196	TXAUUQKFAVOTNT-UHFFFAOYSA-N	329.385	1.450	50	40	EDGB	
O=C(N/N=C/c1ccc(S(=O)(=O)O)o1)c1ccc([N+](=O)[O-])cc1	4132374	CAMSBXSBXDJYPZ-NTUHNPAUSA-N	339.285	1.198	50	40	EDGB	
COCc1n[nH]c2c1[C@@H](c1ccc(C(=O)OC)cc1)C(C#N)=C(N)O2	4870487	SOPJJOIJMPXHLH-ZDUSSCGKSA-N	340.339	1.561	50	40	EDGB	
O=C(Cc1c(F)cccc1Cl)NNC(=S)NC[C@@H]1CCCO1	6828597	JFDQXMUOTXLCQA-VIFPVBQESA-N	345.827	1.696	50	40	EDGB	
C=CCOc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1OCC	27527992	MMHPDMJYDNVEQN-CPNJWEJPSA-N	347.415	1.432	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)CNC(=O)c2ccccc2Cl)cc1	3560066	DDOPBOVSLYXWKG-UHFFFAOYSA-N	345.786	1.839	50	40	EDGB	
Cc1cccc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)c1	19954115	JTUDFPXXGALZRC-LDADJPATSA-N	345.424	1.911	50	40	EDGB	
C=CCNC(=O)CCC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1	4700247	RLKSDTKDMZATTK-UHFFFAOYSA-N	343.305	1.549	50	40	EDGB	
CC(=O)N[C@@H](CC(=O)NNC(=O)c1ccc(F)cc1)c1ccccc1	6856979	SHQRKDCEAGKTLV-INIZCTEOSA-N	343.358	1.854	50	40	EDGB	
Cn1ncc(Br)c1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2	253396997	FHGVYTDWVPFCLI-NSHDSACASA-N	349.188	1.997	50	40	EDGB	
C/C(CC(=O)NCCc1ccccc1)=N/NC(=O)C[n+]1ccccc1	5503127	IREBQDMZWZHFGE-PGMHBOJBSA-O	339.419	1.215	50	40	EDGB	
NC(=O)N/N=C(\C[C@@H]1C(=O)Oc2ccccc21)c1ccccc1O	104296978	LPFOIVNYAIWPNX-NHLWYUBBSA-N	325.324	1.858	50	40	EDGB	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccc(=O)[nH]c2)c1	12785238	CVBPOLRHMBQUCO-UHFFFAOYSA-N	343.383	1.647	50	40	EDGB	
O=C(CN1CCOCC1)N/N=C/c1cc(Cl)cc(Cl)c1O	20248586	PJPZTRVHRVOUFK-FRKPEAEDSA-N	332.187	1.481	50	40	EDGB	
O=C(CC(=O)N/N=C\c1ccc(O)cc1)NCCc1ccccc1	58885175	GSUSIDBKOZNCCM-MOSHPQCFSA-N	325.368	1.591	50	40	EDGB	
CCCc1noc(CCC(=O)NNC(=O)c2cc3c(s2)CCC3)n1	28408744	WJZAALZVNYVPRD-UHFFFAOYSA-N	348.428	1.966	50	40	EDGB	
Cc1cc2c(c(=O)n1C)[C@@H](c1ccc([N+](=O)[O-])o1)C(C#N)=C(N)O2	2347541	MAHOLAFKIFBJCJ-GFCCVEGCSA-N	328.284	1.413	50	40	EDGB	
Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)o1	28626660	IFWNTLJLHPQVIW-UHFFFAOYSA-N	336.731	1.859	50	40	EDGB	
COc1cc(/C=N/NC(N)=O)cc(I)c1OC	13747690	IYHCGKOHHGVTSC-WLRTZDKTSA-N	349.128	1.311	50	40	EDGB	
CC1(C)[C@]2(C)CC[C@]1(C(=O)NNC(=O)c1ccc(F)cc1)OC2=O	100260589	HGYOKGPICDBSDO-IAGOWNOFSA-N	334.347	1.709	50	40	EDGB	
COc1cc(/C=C(\C#N)C(=O)NC2CCCC2)ccc1OCC(N)=O	4590132	OUXQMCZCDJUELU-MDWZMJQESA-N	343.383	1.525	50	40	EDGB	
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCl)CC2)c1	7784532	YKYWKHQEHNHAJT-UHFFFAOYSA-N	330.837	1.375	50	40	EDGB	
N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccnc2ccccc12	8763202	MPIYQRSUKPUUFX-MRXNPFEDSA-N	347.330	1.898	50	40	EDGB	biogenic,in-vitro
CCOC(=O)N1C(N)=C(C#N)C2(CCOCC2)c2nc(COC)[nH]c21	5686401	KMDYRZJTACDWTH-UHFFFAOYSA-N	347.375	1.275	50	40	EDGB	
CC(=O)O[C@H](C[N+](=O)[O-])P(=O)(OCCCl)OCCCl	3011979	DLWMCZPYRCDRND-QMMMGPOBSA-N	338.080	1.856	50	40	EDGB	
O=C(Cn1cnc2ccccc21)N/N=C/c1ccc(O)c([N+](=O)[O-])c1	34891227	AXWFKNMAOCCDLQ-QGMBQPNBSA-N	339.311	1.800	50	40	EDGB	
C=C1C(=O)O[C@@H]2C/C(C=O)=C\[C@H]3O[C@@H]3/C(COC(=O)C(C)C)=C\C[C@@H]12	104095986	DKEPXXSPYUPBQB-ZJNHZGOHSA-N	346.379	1.896	50	40	EDGB	
COC(=O)[C@H]1[C@@H]2[C@H](Br)C(=O)N(C(=O)OC(C)(C)C)[C@@H]12	100238652	IDBRBQSVIDEUTJ-VGRMVHKJSA-N	334.166	1.315	50	40	EDGB	
CCCNC(=O)N(NC(=O)CCl)c1nc(C(=O)OCC)cs1	3768073	KNRGXNWTQUCZIL-UHFFFAOYSA-N	348.812	1.516	50	40	EDGB	
CC1=C(C)C[C@@H](C(=O)NNC(=O)c2ccccc2O)[C@@H](C(=O)O)C1	4651738	IMYVRAUNMDSWDR-OLZOCXBDSA-N	332.356	1.600	50	40	EDGB	
CCCNc1nnc(SCC(=O)NNC(=O)C2CCC2)s1	69698276	PONKTCPLBBXBPK-UHFFFAOYSA-N	329.451	1.400	50	40	EDGB	
COc1ccc(OC)c(/C=N/NC(=O)C(=O)NCc2ccccc2)c1	3057695	UCHGFDPIBYHRJI-UDWIEESQSA-N	341.367	1.470	50	40	EDGB	
C[C@]12CCC(=O)N1[C@H](C(=O)NNC(=O)c1ccc(F)cc1)CS2	12982445	WRYYKATUNFPWAV-NHYWBVRUSA-N	337.376	1.041	50	40	EDGB	
O=C(NNC(=O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)O)c1ccc(Cl)cc1	13138928	ZHLDZBFPGAIYNY-LFSVMHDDSA-N	336.775	1.848	50	40	EDGB	
N#CC1=C(N2CCOCC2)N=C(N)[C@@]1(C#N)CC(=O)c1ccccc1	100251340	OHFDRAFOAQCRSA-GOSISDBHSA-N	335.367	1.208	50	40	EDGB	
Cc1cc(C)n(-c2ccc(C(=O)NNC(=O)[C@@H]3CCCO3)cc2)n1	32262253	CPAYKRSUSYIVPX-HNNXBMFYSA-N	328.372	1.429	50	40	EDGB	
C=CCN1C(=O)/C(=C(\CC)NNC(=O)c2ccccc2)C(=O)N=C1O	9011697	ITUNHNKWYAVDFH-OUKQBFOZSA-N	342.355	1.054	50	40	EDGB	
C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)NN)cc1)c1ccccc1	8267441	MJLIBBKXZMGHHZ-CYBMUJFWSA-N	347.440	1.649	50	40	EDGB	
O=C(NNC(=O)c1cc(C2CC2)nc2ccccc12)c1cnccn1	27132060	CKIOQEZIORXYGL-UHFFFAOYSA-N	333.351	1.977	50	40	EDGB	
COc1ccccc1OCC(=O)NNC(=O)c1ccc(C#N)cc1	3400833	XNJOQDOEIJPHET-UHFFFAOYSA-N	325.324	1.407	50	40	EDGB	
C[C@@H]1C[C@H]1C(=O)OCC(=O)NNC(=O)COc1ccc(Cl)cc1	5693915	YQGCQIITIUCZSB-BXKDBHETSA-N	340.763	1.065	50	40	EDGB	
COC(=O)NNS(=O)(=O)c1cc(Br)ccc1OC	7405550	UPDIHPWHVLBJJS-UHFFFAOYSA-N	339.167	1.007	50	40	EDGB	
CN(C)c1ncccc1C(=O)NNC(=O)Cc1ccc(Cl)cc1	83852404	UYFPTVNRNMKTFS-UHFFFAOYSA-N	332.791	1.805	50	40	EDGB	
O=C(NNC(=O)c1csc(N2CCOCC2)n1)Nc1ccccc1	8750617	OWLNZWOPVNHTNP-UHFFFAOYSA-N	347.400	1.446	50	40	EDGB	
NNC(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1	19229921	MHZCKLOUKARQDP-UHFFFAOYSA-N	338.455	1.774	50	40	EDGB	
COc1cccc(/C=N/NC(=O)CC(=O)NC2CCCCC2)c1OC	5514901	HFIIHLJWUNLDHF-XDHOZWIPSA-N	347.415	1.993	50	40	EDGB	
CC(C)OC[C@H](O)CCC(=O)NNC(=S)Nc1ccccc1	2239837	FFDBBCDFURTMAN-CYBMUJFWSA-N	325.434	1.570	50	40	EDGB	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1COCCO1	30716986	QJXUVRFYJXVMOT-JTQLQIEISA-N	335.238	1.472	50	40	EDGB	
O=C1CNC(=O)N1N1C(=O)CS[C@H]1C1=CC=C(Cl)C[C@@H]1Cl	74988	BOKADXHVAOHYBT-KWQFWETISA-N	348.211	1.415	50	40	EDGB	
O=C(NNC(=O)[C@@H]1CCCC[C@H]1C(=O)O)c1cccc([N+](=O)[O-])c1	2774766	RESXJRSBBIFSMA-VXGBXAGGSA-N	335.316	1.247	50	40	EDGB	
Cc1c(Br)cc(Br)c2nc(C(=O)NN)cn12	95215792	HNGMSKKWLCHJFK-UHFFFAOYSA-N	347.998	1.771	50	40	EDGB	
C/C(CC(=O)N1CCCC1)=N\NC(=O)C(=O)Nc1cccc(C)c1	5364425	WMJAVDWKXHTSJI-CPNJWEJPSA-N	330.388	1.438	50	40	EDGB	
O=C(Cn1cnc([N+](=O)[O-])n1)N/N=C/c1ccc(Cl)cc1Cl	196013	FWZHEDMSNNKRII-SYZQJQIISA-N	343.130	1.643	50	40	EDGB	
CC(C)[C@@H](NC(=O)Cc1cccs1)C(=O)N/N=C\c1cccnc1	33686400	OLWRSZKWKWNCKI-VXIUPONVSA-N	344.440	1.977	50	40	EDGB	
O=C(N/N=C/c1ccco1)c1cccc(S(=O)(=O)N2CCCC2)c1	6674126	FUEZGRUHTWIZEB-SFQUDFHCSA-N	347.396	1.828	50	40	EDGB	
CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1ccc(O)c(O)c1	57509049	CTCRSKSRKIPFTB-LBPRGKRZSA-N	326.736	1.508	50	40	EDGB	
COCCNC(=O)/C(C#N)=C/c1c[nH]c2cccc(C(=O)OC)c12	49548034	PREFNZDJKFYLQM-DHZHZOJOSA-N	327.340	1.624	50	40	EDGB	
N#C/C(=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)C(N)=O	4690835	XYTPBSBBYYNUBD-UXBLZVDNSA-N	327.325	1.928	50	40	EDGB	
O=C(NCc1coc(-c2cccs2)n1)NNC(=O)[C@@H]1CCCO1	84444942	SLVBLCNISZOOHR-JTQLQIEISA-N	336.373	1.413	50	40	EDGB	
COc1cc(/C=N\NC(=O)c2cc([N+](=O)[O-])ccc2O)ccc1O	408919278	VUBSGJDIOJYRKD-PXNMLYILSA-N	331.284	1.779	50	40	EDGB	
CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2cccnc2)cc1	59434189	XYMILADFPZEAAC-YBFXNURJSA-N	340.339	1.347	50	40	EDGB	
O=C(N/N=C/c1ccncc1)C(=O)Nc1ccc(Br)cc1	59459615	MKOGYSUCPNSVPZ-RQZCQDPDSA-N	347.172	1.933	50	40	EDGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)cc1OC	18323348	PMSXGCWUZLOXDB-HNNXBMFYSA-N	339.351	1.919	50	40	EDGB	
O=C(CNc1ccccc1)NNC(=O)c1ccc(-n2cccn2)cc1	8704671	BBNNYVREOVSTNT-UHFFFAOYSA-N	335.367	1.745	50	40	EDGB	
CC(C)=NNC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O	408771875	JTLAXWROFOYLCY-UHFFFAOYSA-N	331.825	1.926	50	40	EDGB	
CCOc1cccc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)c1	5874595	NZXPDTQRUPAFTC-PKIAMQTDSA-N	346.383	1.593	50	40	EDGB	
CCOC(=O)COc1c(Cl)cc(/C=N/NC(N)=O)cc1OC	1001917	ZLCSFPKCTVERAM-OMCISZLKSA-N	329.740	1.293	50	40	EDGB	
Cc1ccc(C(=O)/C=C(\O)C(=O)NNC(=O)c2ccccc2O)cc1	100932858	BIHAGTMAPJZIML-YBEGLDIGSA-N	340.335	1.786	50	40	EDGB	
O=C(N/N=C/[C@H]1C[C@H]2C=C[C@H]1C2)C(=O)N/N=C/[C@@H]1C[C@H]2C=C[C@H]1C2	107908215	NGTNPOWMSTVRGR-AXXFAHADSA-N	326.400	1.615	50	40	EDGB	
CC1=C(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OCCO)=C(C)N1	59231269	FNWPRDDWNFKMLM-MRXNPFEDSA-N	343.339	1.889	50	40	EDGB	
C[C@H](OC(=O)c1ccccc1O)C(=O)NNC(=O)c1ccccc1	7747036	GHYJFEOMGFTPBK-NSHDSACASA-N	328.324	1.399	50	40	EDGB	
COC(=O)/C(=N/NC(=O)c1ccccc1O)[C@@H](C#N)c1ccccc1	17197124	IAKGZCIZYVUMEZ-ZDHNHOGNSA-N	337.335	1.958	50	40	EDGB	
O=C(CO/N=C/c1ccccc1)NNC(=O)C(Cl)(Cl)Cl	6829402	CIFSPRVTBRWZRG-GIDUJCDVSA-N	338.578	1.555	50	40	EDGB	
COc1ccccc1OCC(=O)N/N=C\c1cc([N+](=O)[O-])ccc1O	35361728	WAJYMACEPYSIQS-MFOYZWKCSA-N	345.311	1.838	50	40	EDGB	
CC/C(=N/NC(=O)c1ccncc1)c1ccc(OCC(N)=O)cc1	372954	FCVSQSXESWOHQH-HKWRFOASSA-N	326.356	1.490	50	40	EDGB	
C=CCNC(=S)NNC(=O)Cc1cnn(-c2ccccc2)c1C	3064011	XEJLWVCXGBVDHC-UHFFFAOYSA-N	329.429	1.405	50	40	EDGB	
O=C(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])NCc1cccnc1	59461588	PNCGXSIAVZPRSL-YBFXNURJSA-N	341.327	1.146	50	40	EDGB	
O=C(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)NCc1cccnc1	59461589	PCPRRGGBZOWNSK-YBFXNURJSA-N	341.327	1.146	50	40	EDGB	
CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1cn(CC)nc1C	20312958	QPBHNSYEZAUEEK-LBPRGKRZSA-N	326.784	1.621	50	40	EDGB	
COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccccc2O)c1O	4784642	ZIMUZKJKOHIUOP-LZYBPNLTSA-N	331.284	1.779	50	40	EDGB	
N#CC1=C(SCC(=O)N2CCOCC2)NC(=O)C[C@@H]1c1ccco1	409139048	LTGDCJFYNLNOKO-NSHDSACASA-N	347.396	1.210	50	40	EDGB	
CCS(=O)(=O)[C@H](I)[C@H](O)c1ccccc1	96519228	BCIDBLRQXIDWMQ-ZJUUUORDSA-N	340.182	1.916	50	40	EDGB	
O=C(Cc1ccccc1)NCC(=O)N/N=C/c1ccc2c(c1)OCO2	4592209	XUWUNSNXRRXEJS-KEBDBYFISA-N	339.351	1.224	50	40	EDGB	
COc1ccccc1CCC(=O)NNC(=O)Cn1nc(C)cc1C	8292052	BULBFRBPTSUJLJ-UHFFFAOYSA-N	330.388	1.289	50	40	EDGB	
C[C@@]12O[C@@H]([C@H](Br)[C@@H]1Br)[C@@H]1C(=O)OC(=O)[C@@H]12	239338871	LIWROZKJGNEHRM-SHNOOKSHSA-N	339.967	1.000	50	40	EDGB	
CCn1ncc(/C=N/NC(=O)[C@@H](C)n2cc([N+](=O)[O-])c(C)n2)c1F	252510045	ZAQYFXUTWLYMLE-DXLPTXHLSA-N	337.315	1.167	50	40	EDGB	
Cn1cc(C(=O)NNC(=S)Nc2cccc(C(F)(F)F)c2)nn1	808374416	NGQZTKNHQUIHOB-UHFFFAOYSA-N	344.322	1.465	50	40	EDGB	
COc1ccc(S(=O)(=O)/C(C#N)=C/N2CCC(C(N)=O)CC2)cc1	32025437	QJOCIFCTDGVBCH-RVDMUPIBSA-N	349.412	1.031	50	40	EDGB	
O=C1CNC(=O)N1N1C(=O)CS[C@H]1C1=CC=C(Cl)C[C@H]1Cl	74984	BOKADXHVAOHYBT-KCJUWKMLSA-N	348.211	1.415	50	40	EDGB	
C=CCOc1ccccc1/C=C(\C#N)C(=O)N[C@H]1CCS(=O)(=O)C1	27019322	YIGIMOOGVOEDQF-IPJDOKCGSA-N	346.408	1.462	50	40	EDGB	
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CCl)cc2)C[C@H](C)O1	4219033	FFPDNVPIQHMRJP-QWRGUYRKSA-N	346.836	1.662	50	40	EDGB	
O=C(CN1C(=O)COc2ccccc21)N/N=C/c1ccccc1O	7011869	NCUQTDGGEBDJIG-GIJQJNRQSA-N	325.324	1.268	50	40	EDGB	
CC/C(=N\NC(=O)CN1CCOCC1)c1ccc(OC)c(OC)c1	408719629	IGSYRYNJEVVHAS-NBVRZTHBSA-N	335.404	1.266	50	40	EDGB	
COc1ccccc1/C=N/NC(=O)C(=O)NCCc1ccccc1	3062141	CJOYBUDMRDDRTG-DEDYPNTBSA-N	325.368	1.504	50	40	EDGB	
CN(N=O)C1=N[C@](C)(CCl)[P@@](=O)(NNc2ncccn2)O1	5758736	VSWXYLOYWRETPR-FPVGNUTFSA-N	333.676	1.541	50	40	EDGB	
Cc1cc[n+](-c2[nH]c(=O)sc2/C=N/NC(=O)c2cccnc2)cc1	13739559	NKVIIPNGJDUCGY-UHFFFAOYSA-O	340.388	1.180	50	40	EDGB	
N#CC1=C(N)Oc2nc(=S)[nH]c(O)c2[C@H]1c1ccc([N+](=O)[O-])cc1	17197551	MDCZVRCERQQQIE-VIFPVBQESA-N	343.324	1.971	50	40	EDGB	
CC(=O)Nc1ccc(C(=O)NNS(=O)(=O)c2ccc(C)cc2)cc1	267563	WHAOHWBKZXUXPF-UHFFFAOYSA-N	347.396	1.577	50	40	EDGB	
O=C(NNC(=O)c1ccc(Br)s1)c1ccncc1	138188	CHVFCBBSPWGKNF-UHFFFAOYSA-N	326.175	1.980	50	40	EDGB	
Cc1ccc(C)c(N2N=C(C(=O)NNC(=O)C3CC3)CCC2=O)c1	58382348	SJGWKRALOCSRGN-UHFFFAOYSA-N	328.372	1.344	50	40	EDGB	
COc1cccc2c1NC(=O)/C2=N\NC(=O)c1ccc([N+](=O)[O-])cc1	59472658	JTOIGSKSLXZKQI-UHFFFAOYSA-N	340.295	1.690	50	40	EDGB	
Cn1nc(C(=O)NNC(=O)C2CCCCC2)c2ccccc2c1=O	13004822	AXMUOTKAIPDHQW-UHFFFAOYSA-N	328.372	1.275	50	40	EDGB	
NNC(=O)[C@H]1CN(C(=O)c2ccccc2Cl)c2ccccc2O1	225330368	RIUJBNNCBHTEOE-CQSZACIVSA-N	331.759	1.738	50	40	EDGB	
C[C@@]1(C(=O)Nc2ccc(N3CCNCC3)cn2)C[C@H]1Br	1616038051	FJVPTOUQRVJMJW-BXUZGUMPSA-N	339.237	1.603	50	40	EDGB	
CCOC(=O)Cc1[nH]nc2c1[C@H](c1ccc(F)cc1)C(C#N)=C(N)O2	500573	QVBSZMNJIXSDCQ-CQSZACIVSA-N	342.330	1.873	50	40	EDGB	
COc1cccc(/C=N/NC(=O)CNC(=O)c2cccc(F)c2)c1O	1880911	BJOZEGBEWLZOMH-AWQFTUOYSA-N	345.330	1.420	50	40	EDGB	
COc1cc(/C(N)=N/NC(=O)c2ccccc2N)cc(OC)c1OC	46085265	MIQYRUOOUYQFSC-UHFFFAOYSA-N	344.371	1.345	50	40	EDGB	
O=C(Cn1ccc(=O)[nH]c1=O)NN(c1ccccc1)c1ccccc1	12983332	FTXPRHBXDVQZRW-UHFFFAOYSA-N	336.351	1.406	50	40	EDGB	
O=C(O)COc1ccccc1/C=N/NC(=O)[C@@H](O)c1ccccc1	4694146	ZLMRKXMIYHLIES-HKJBKDEOSA-N	328.324	1.334	50	40	EDGB	
COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OC(=O)N(C)C	170605	INNWRSKKMRTONB-VXLYETTFSA-N	342.355	1.915	50	40	EDGB	
CCOc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCC(N)=O	3347188	NGYJVRYTHYFJHZ-AWQFTUOYSA-N	342.355	1.108	50	40	EDGB	
C/C(CC(=O)NCCc1ccccc1)=N\NC(=O)C[n+]1ccccc1	16957728	IREBQDMZWZHFGE-LTGZKZEYSA-O	339.419	1.215	50	40	EDGB	
C/C(=N\NC(=O)Cn1nnc2ccccc21)c1ccc(O)cc1O	6361623	NOOHIFQIXLNJBC-LICLKQGHSA-N	325.328	1.383	50	40	EDGB	
COc1cccc(/C=N\NC(=O)[C@@H]2COc3ccccc3O2)c1O	13581729	LZNMAQBJCIHWSM-QJVAEYLJSA-N	328.324	1.691	50	40	EDGB	
Cn1cccc1/C=N/NC(=O)CN1CCN(Cc2ccccc2)CC1	22924856	DSBNIFRPIHGSRD-XSFVSMFZSA-N	339.443	1.293	50	40	EDGB	
O=C(CCN1CCN(c2ccccc2)CC1)N/N=C/c1ccncc1	3525952	AZANHDBNKYMICS-LTGZKZEYSA-N	337.427	1.744	50	40	EDGB	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc[nH]c2=O)cc1	12983767	SEWNAIXMRRLPHP-NSHDSACASA-N	345.355	1.002	50	40	EDGB	
COCc1n[nH]c2c1[C@@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2	5686987	PPGRDIIJTRQXQE-ZDUSSCGKSA-N	326.312	1.503	50	40	EDGB	
O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1c[nH]c2ccccc12	43390	MPXYWJURDSCOEF-RGVLZGJSSA-N	345.366	1.972	50	40	EDGB	
COc1ccc(C(=O)NNS(=O)(=O)c2ccccc2)cc1OC	320623	XJRDOEOPKPQRNH-UHFFFAOYSA-N	336.369	1.327	50	40	EDGB	
O=C(NNC(=O)[C@@H]1CCCCN1Cc1ccccc1)c1cccnc1	95400361	PQMZITHSDSMEBC-KRWDZBQOSA-N	338.411	1.897	50	40	EDGB	
CN(C)C(=O)/C(C#N)=C\c1ccc(O)c(I)c1	59334149	KFADYUGLUJYTQU-UITAMQMPSA-N	342.136	1.992	50	40	EDGB	
COC[C@H](C)n1c(C)cc(/C=C(\C#N)C(=O)NCc2cn[nH]n2)c1C	96035392	COEZXBYHGYZJCX-FCGPPKDQSA-N	342.403	1.654	50	40	EDGB	
COc1cc(/C=N/NC(=O)C(=O)N2CCCCC2)cc(OC)c1OC	4703122	ZANJXEWCXVQVQE-WOJGMQOQSA-N	349.387	1.175	50	40	EDGB	
CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](CC)[C@H]2C1	20000706	ITBLCFKBUQICBV-UONOGXRCSA-N	325.372	1.811	50	40	EDGB	
CCc1ccc(C(=O)NNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1	13006547	CDPULXRDBWYMRR-SUMWQHHRSA-N	347.440	1.464	50	40	EDGB	
C[C@]1(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)CC1(Cl)Cl	100557781	ZBSQHCMLPOZMBH-HQDUHMNQSA-N	347.198	1.241	50	40	EDGB	
COC(=O)/C(C#N)=C/c1c(N2CCCCC2)nc2ccccn2c1=O	552735	OCOZSKMFRGBMPW-ACCUITESSA-N	338.367	1.765	50	40	EDGB	
O=C(NNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc2c(c1)OCO2	106521702	NJPLNIZOYZXSDJ-NHCYSSNCSA-N	333.413	1.713	50	40	EDGB	
COc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCC(N)=O	35773272	ZUJPZRJSUKVQGQ-JMIUGGIZSA-N	341.367	1.632	50	40	EDGB	
O=[N+]([O-])c1cc(S(=O)(=O)OC(CCl)CCl)ccc1O	255188483	KDKMGDXEJXPPPW-UHFFFAOYSA-N	330.145	1.852	50	40	EDGB	
CC1=C(C#N)C(=O)N(CCCO)C(=O)/C1=N\c1ccc(N(C)C)cc1	13147479	WZQKAYDNQHZEQS-SILNSSARSA-N	340.383	1.416	50	40	EDGB	
C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CC1(C)OCCO1	6378244	OYZCEDOYLPHWNN-GZTJUZNOSA-N	347.327	1.210	50	40	EDGB	
NC(=O)N1CCC(=NNC(=O)c2cc3ccccc3cc2O)CC1	54278862	TWBPYZAEVBCUNS-UHFFFAOYSA-N	326.356	1.806	50	40	EDGB	
Cc1occc1C(=O)NNC(=O)c1ccc(CN2CCCC2=O)cc1	7283418	CGFQXWGUFHDGGP-UHFFFAOYSA-N	341.367	1.785	50	40	EDGB	
Cc1cccc(C(=O)NC(=S)NNC(=O)Cc2ccccc2)c1	4616520	GDDBWHHEAMEJDJ-UHFFFAOYSA-N	327.409	1.873	50	40	EDGB	
CCO/C=C(\C#N)C(=O)N[C@@H](CC(C)C)c1nc(C(=O)OCC)n[nH]1	585086084	UJJDOJHYZCBEPG-ZKQHCESOSA-N	349.391	1.629	50	40	EDGB	
COCCN(C)NC(=O)Nc1cc(-c2cc(F)cc(F)c2)nn1C	585119888	YUVBJEZLRIQIGY-UHFFFAOYSA-N	339.346	1.980	50	40	EDGB	
O=C(N/N=C\C=C\c1ccco1)C(=O)N/N=C\C=C\c1ccco1	16430077	XDVIARJIBOIXOW-AUBZAHNQSA-N	326.312	1.803	50	40	EDGB	
O=C(NNC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O)c1ccc(Cl)cc1	104103549	ZHLDZBFPGAIYNY-XRRVDJEJSA-N	336.775	1.848	50	40	EDGB	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cccc([N+](=O)[O-])c1	972470	OUQQTWMZHPEXIL-AWEZNQCLSA-N	343.295	1.196	50	40	EDGB	
CCOC(=O)C(CCBr)(C(=O)OCC)C(=O)OCC	2576829	VIMWZZMUASPQPL-UHFFFAOYSA-N	339.182	1.447	50	40	EDGB	
O=C(NNC(=O)C1CC1)Nc1ccc(I)cc1	96013171	YFSRTIHEZOSBIX-UHFFFAOYSA-N	345.140	1.854	50	40	EDGB	
COc1cccc2cc(C(=O)NNC(=O)c3ccccc3)c(=O)oc12	5721116	WFOWLTOMZBMAKM-UHFFFAOYSA-N	338.319	1.876	50	40	EDGB	
C/C(=N\NC(=O)Cc1ccc2c(c1)OCO2)c1ccc(O)cc1O	409145244	NDOIRVLLSIHQPF-VCHYOVAHSA-N	328.324	1.909	50	40	EDGB	
CCC(=O)Nc1nnc(CC(=O)N/N=C/c2cccc(O)c2)s1	408730785	IOQCUSMFQLBNLJ-OVCLIPMQSA-N	333.373	1.285	50	40	EDGB	
C/C(CC(=O)Nc1ccc(C(N)=O)cc1)=N\NC(=O)c1cccs1	100530291	QJRZFNGADPXLBX-VXLYETTFSA-N	344.396	1.982	50	40	EDGB	
CCc1ccc(C(=O)N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)nc1	4694175	NRSDRTOHWVZRKX-UHFFFAOYSA-N	339.311	1.638	50	40	EDGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)N2CCCC2)cc1OCC	3043705	NMYXBVDBOUAJEU-CPNJWEJPSA-N	345.399	1.723	50	40	EDGB	
COc1cc(/C=N/NC(=O)CN2Cc3ccccc3C2)ccc1O	8112442	NYDVFYUOJKGEHY-DJKKODMXSA-N	325.368	1.867	50	40	EDGB	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(OC)ccc1OC	98081	ZVEZJBHJHZVBPX-HNNXBMFYSA-N	330.340	1.958	50	40	EDGB	
O=C(NN[C@H]1CC(=O)N(c2ccccc2)C1=O)c1cccc(F)c1	100979168	FSTRCMPOSXTSLW-AWEZNQCLSA-N	327.315	1.392	50	40	EDGB	
O=C(N/N=C/c1cccc(O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1	58885051	JPDMTKHIIRJGMZ-CXUHLZMHSA-N	328.284	1.389	50	40	EDGB	
O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1cccc(Cl)c1Cl	59382013	VZRTYIQCXLCHMI-NZWFQIHVSA-N	344.198	1.739	50	40	EDGB	
CCOc1ccc(NC(=O)C(=O)N/N=C(\C)c2ccncc2)cc1	5219482	RHBDKQZNBUWRIZ-UDWIEESQSA-N	326.356	1.959	50	40	EDGB	
COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2)cc1[N+](=O)[O-]	4703111	SGYHGKNDQWZSND-LICLKQGHSA-N	342.311	1.692	50	40	EDGB	
O=C(CCC(=O)Nc1ccccc1)NNC(=O)Cc1ccccc1	5736324	AAIPTOYGIGNXFQ-UHFFFAOYSA-N	325.368	1.795	50	40	EDGB	
COc1cc(C(=O)NNC(=O)c2ccc[nH]2)ccc1OC(F)F	6991204	PJDFTTRWRIZJOY-UHFFFAOYSA-N	325.271	1.700	50	40	EDGB	
COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2sccc2C)cc1	223160004	YWSNWTOIHZSUAX-MFOYZWKCSA-N	345.380	1.932	50	40	EDGB	
CCCCC(=O)NN/C=C1/C(=O)NC(=O)N(c2cccc(C)c2)C1=O	2248855	PTTDNIHQRHHFFS-RAXLEYEMSA-N	344.371	1.273	50	40	EDGB	
CCNC(=O)C(=O)NN(C(=O)c1ccc(F)cc1)c1ccccc1	3671156	IDSRZJLJDFFETM-UHFFFAOYSA-N	329.331	1.640	50	40	EDGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)ccc1O	20086744	AIUYJRVQTLLLOB-HNNXBMFYSA-N	339.351	1.626	50	40	EDGB	
Nc1ccc(C(=O)NN2C(=O)[C@H](Cl)[C@@H]2c2ccccc2O)cc1	1633069	NADFAJBDQOIGEK-KGLIPLIRSA-N	331.759	1.810	50	40	EDGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc2c1OCO2	4102800	LPGXZJZZSOFQSD-CYBMUJFWSA-N	326.312	1.674	50	40	EDGB	biogenic,in-vitro
CS(=O)(=O)[C@@H](I)[C@H](O)c1ccccc1F	96519193	ADZCZSARIKPSEA-RKDXNWHRSA-N	344.145	1.665	50	40	EDGB	
O=C(CN1CCCc2ccccc21)NNC(=O)c1ccc2[nH]cnc2c1	17402263	ZVQWZWCZEKPCEV-UHFFFAOYSA-N	349.394	1.777	50	40	EDGB	
Cc1nc(-c2ccccc2)ccc1C(=O)NNC(=O)c1cnccn1	12842740	VOARGCORZUXLCT-UHFFFAOYSA-N	333.351	1.922	50	40	EDGB	
Cc1nc(-c2ccc(F)cc2)sc1C(=O)NNC(=O)CN(C)C	69444225	VDADXBPPZVNWJU-UHFFFAOYSA-N	336.392	1.580	50	40	EDGB	
C[C@H](CCl)Cn1c(Br)nc2c1c(=O)[nH]c(=O)n2C	4314851	GIRQDACBYWLJRC-RXMQYKEDSA-N	335.589	1.061	50	40	EDGB	
O=C(N/N=C/c1ccc(N2CCOCC2)o1)c1ccc([N+](=O)[O-])cc1	109482390	YQBOIWPGGPXQRZ-GZTJUZNOSA-N	344.327	1.788	50	40	EDGB	
C[C@@H](Oc1ccc(Cl)cc1)C(=O)NNC(=O)Cc1cccn1C	3297106	KYZVEYCAVGFVNW-LLVKDONJSA-N	335.791	1.836	50	40	EDGB	
CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(Cl)c[nH]2)c1	27147364	XJGLLUGWNJQVIH-UHFFFAOYSA-N	341.776	1.146	50	40	EDGB	
COc1ccc(C(=O)NNC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)O)cc1	4651746	NGEVVYSYBSFGFI-HUUCEWRRSA-N	346.383	1.903	50	40	EDGB	
O=C(N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)c1ccccc1	4814054	WQYXLSXQQJBRLX-OVCLIPMQSA-N	330.256	1.973	50	40	EDGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccco1)S(C)(=O)=O	408769455	VJCITGBCXGEAOY-GZTJUZNOSA-N	349.412	1.758	50	40	EDGB	
COCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)cc1	2697910	QGMFGSJCDDRHLA-MRXNPFEDSA-N	344.367	1.966	50	40	EDGB	
Cc1ccccc1OCC(=O)NC(=S)NNC(=O)c1ccncc1	6861180	KONXKMAZZMDLGL-UHFFFAOYSA-N	344.396	1.105	50	40	EDGB	
CCNC(=S)NNC(=O)/C=C/c1ccc(OC(F)F)c(OC)c1	3304210	HGNHKNLYDLJWFD-FNORWQNLSA-N	345.371	1.825	50	40	EDGB	
COc1c(O)ccc(/C=N\NC(=O)c2ccc(C)nc2)c1[N+](=O)[O-]	13899439	QULITHZPHGPHHM-IUXPMGMMSA-N	330.300	1.776	50	40	EDGB	
C/C(=N/NC(=O)CNC(=O)COc1cccc(C)c1)c1ccco1	4844284	FUCBUGZHPZJSCW-UYRXBGFRSA-N	329.356	1.623	50	40	EDGB	
COc1cccc(/C=N/NC(=O)Cn2c([N+](=O)[O-])cnc2C)c1OC	5612942	GYTKYQWTHYNXGU-REZTVBANSA-N	347.331	1.267	50	40	EDGB	
Cc1cc(C)cc(N2C(=O)C[C@@H](NNC(=O)c3ccncc3)C2=O)c1	527355	UGDIYUYUHCFDAD-OAHLLOKOSA-N	338.367	1.265	50	40	EDGB	
CCc1ccc(OCC(=O)NNC(=O)COc2ccc(F)cc2)cc1	6208366	YOQOMRISXMSIMJ-UHFFFAOYSA-N	346.358	1.993	50	40	EDGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c1O	59434085	ZGDCVLHRGSBRHJ-GIJQJNRQSA-N	331.303	1.629	50	40	EDGB	
Cc1occc1C(=O)NNC(=O)CCc1nc2ccccc2c(=O)[nH]1	12998400	VDNLUCMMJPSKNZ-UHFFFAOYSA-N	340.339	1.218	50	40	EDGB	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cccc2cn[nH]c12	32908205	WGORTPYDNYRLFE-AWEZNQCLSA-N	338.323	1.164	50	40	EDGB	
O=C(N/N=C/c1ccccc1C(=O)O)C(=O)NC1CCCCCC1	15224609	FKYJAWKLUUCLHB-WOJGMQOQSA-N	331.372	1.674	50	40	EDGB	
CCc1cccc2c1N=C/C2=C/C(C#N)=C1\N=C(N(C)C)N=C(N)N1	102218615	OQHYZSIOUWRIDH-ISWYFFBPSA-N	333.399	1.919	50	40	EDGB	
O=C(Cn1nnc2ccccc21)N/N=C/c1cc([N+](=O)[O-])ccc1O	36020249	GYFUITBIKDSBDI-LZYBPNLTSA-N	340.299	1.195	50	40	EDGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)NNC(C)=O)cc1	408996500	IGVZEPDCFHRGQC-UHFFFAOYSA-N	327.340	1.728	50	40	EDGB	
CNC(=O)NNS(=O)(=O)C1=Cc2ccc(OC(F)F)cc2CC1	50532724	LMFOJYQCBVNLED-UHFFFAOYSA-N	347.343	1.339	50	40	EDGB	
COc1ccnc(NNC(=O)c2nc(N3CCCC3)ncc2Cl)n1	48234911	SDAUGMHDVLADMU-UHFFFAOYSA-N	349.782	1.286	50	40	EDGB	
CCCn1nc(C)c2c(C(=O)NN)cc(-c3cnn(C)c3C)nc21	12395711	YRRQAWRKNMZSDM-UHFFFAOYSA-N	327.392	1.462	50	40	EDGB	
CCc1ccccc1N1C(=O)C[C@H](NNC(=O)c2ccccc2)C1=O	549987	FOQGBTZWDIGXGM-HNNXBMFYSA-N	337.379	1.816	50	40	EDGB	
C/C(=N\NC(=O)CN1CCOCC1)c1cccc(Br)c1	20248488	UEEKEBVGJTYFNM-LFIBNONCSA-N	340.221	1.622	50	40	EDGB	
O=C(N/N=C/c1ccc(O)c(O)c1O)[C@@H]1COc2ccccc2O1	3232435	SIBDBMLSQNCDCP-SRYMZENNSA-N	330.296	1.094	50	40	EDGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccccc1[N+](=O)[O-]	18195495	JMXQINMZIQPKKX-UHFFFAOYSA-N	344.283	1.507	50	40	EDGB	
Cc1cc(C(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)ccc1[N+](=O)[O-]	372935	BPMRHYNJSRZFHK-NEPJUHHUSA-N	349.343	1.555	50	40	EDGB	
Cc1ccc(-n2nnnc2SCC(=O)NNC(=O)C(C)C)c(C)c1	4883045	OAYRGGPCRGTUNS-UHFFFAOYSA-N	348.432	1.175	50	40	EDGB	
COc1cccc(/C=N/NC(=O)Cn2ccc(C(F)(F)F)n2)c1O	3226502	LAQLMWQSADCHAA-CNHKJKLMSA-N	342.277	1.766	50	40	EDGB	
C/C(=N\NC(=O)C(N)=O)c1ccc(NC(=O)c2cccs2)cc1	4652393	JUPUCSFUGFSMQP-GIJQJNRQSA-N	330.369	1.326	50	40	EDGB	
O=C(NNC(=O)C1CC1)c1ccc(CS(=O)(=O)c2ccccc2)o1	7273310	LGNKDHMKNJOLMF-UHFFFAOYSA-N	348.380	1.425	50	40	EDGB	
CCOC(=O)CCCCC(=O)NNC(=O)CCCCC(=O)OCC	5048493	ZPCXVJQNBXVMQY-UHFFFAOYSA-N	344.408	1.381	50	40	EDGB	
C/C(=N\NC(=O)c1cccnc1)c1ccc(OCC(=O)N(C)C)cc1	6528931	KLGKOPUCLZUHBQ-DEDYPNTBSA-N	340.383	1.703	50	40	EDGB	
CCOC(=O)c1c(C)nc(CO)c(C(=O)NN)c1-c1ccccc1	8337977	JEWXCUXXICUCOT-UHFFFAOYSA-N	329.356	1.330	50	40	EDGB	
Cc1cc(C)n2nc(C(=O)NNC(=O)c3ccc(Cl)cc3)nc2n1	3341912	MKKFVEJDALWOPX-UHFFFAOYSA-N	344.762	1.469	50	40	EDGB	
COc1ccc(C(=O)NNC(=S)NC(=O)c2cccs2)cc1	2316450	ZBZQCRFWASEUCI-UHFFFAOYSA-N	335.410	1.706	50	40	EDGB	
CC(=O)N1CCN(c2ccccc2N2C[C@H](C(=O)Cl)CC2=O)CC1	57327884	BSUULJOBMAPHCJ-CYBMUJFWSA-N	349.818	1.473	50	40	EDGB	
O=C(NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1ccc(Cl)cc1	108274232	VVOFYOPYLIDASN-DJIHRAIXSA-N	334.759	1.624	50	40	EDGB	
COC(=O)NNC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	48538584	DGZAGUHFHCXUHH-NXEZZACHSA-N	340.355	1.832	50	40	EDGB	
COc1ccc(OC)c(/C=N/NC(=O)CNC(=O)c2ccccc2)c1	4079616	PLJPAJYTQOPLGQ-RGVLZGJSSA-N	341.367	1.584	50	40	EDGB	
N#CC(C#N)=C(N)[C@@]1(C#N)[C@H](c2cccc([N+](=O)[O-])c2)C1(C#N)C#N	6668815	NCZQCUSCNABXGS-CZUORRHYSA-N	329.279	1.496	50	40	EDGB	
Cc1ccc(C(=O)NN[C@H]2CC(=O)N(c3ccccc3F)C2=O)cc1	100916352	VCVUKZMRZJQWJG-AWEZNQCLSA-N	341.342	1.701	50	40	EDGB	
NC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O	364107	YMSVDOXXZGSMPV-CYBMUJFWSA-N	332.231	1.113	50	40	EDGB	
N[C@@H](Cc1ccccc1)C(=O)NCC(=O)Oc1ccc([N+](=O)[O-])cc1	1708440	MSLLEEOIZFFIRI-HNNXBMFYSA-N	343.339	1.186	50	40	EDGB	
CC1=NN(c2ccccc2)C(=O)[C@@H]1C(=S)S[C@H]1CC(=O)OC1=O	104203784	KVUWXLFILPJQLN-CMPLNLGQSA-N	348.405	1.928	50	40	EDGB	
Cn1cc([N+](=O)[O-])cc1C(=O)NNC(=O)CCc1ccccc1O	12689617	NALYJLLUNGYMNS-UHFFFAOYSA-N	332.316	1.033	50	40	EDGB	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1cc2ccccc2[nH]1	12846987	LTIVIGJFPZUCAW-MRXNPFEDSA-N	337.335	1.769	50	40	EDGB	
COc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc(OC)c1O	2807233	LDFJMRSXTUSAOF-BFERYNQYSA-N	330.340	1.593	50	40	EDGB	
CC1=C/C(=N\NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)CC1	96688794	FSIJJYQTAYUMRZ-VKAVYKQESA-N	335.429	1.828	50	40	EDGB	
O=S1(=O)C[C@@H](Cl)[C@@H](NC(=S)OC[C@@H](Cl)CCl)C1	225703316	BHUPKUYAZIKGBS-XVMARJQXSA-N	340.681	1.128	50	40	EDGB	
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CCl)cc2)C[C@@H](C)O1	12504823	FFPDNVPIQHMRJP-PHIMTYICSA-N	346.836	1.662	50	40	EDGB	
O=C(COc1ccc(C(F)(F)F)cc1)NNC(=O)c1ccc[nH]1	97405868	BRHKKMSBGUCBNF-UHFFFAOYSA-N	327.262	1.874	50	40	EDGB	
N#Cc1ccccc1-c1nnn(CC(=O)N/N=C/c2ccccc2)n1	68420	ZEPPJROKGQALTD-YBFXNURJSA-N	331.339	1.362	50	40	EDGB	
COC(=O)Cc1[nH]nc2c1[C@@H](c1ccc(F)cc1)C(C#N)=C(N)O2	4453372	IEHBVVDSHVGPQC-ZDUSSCGKSA-N	328.303	1.482	50	40	EDGB	
CS(=O)(=O)N(c1cccc(CCl)c1Cl)S(C)(=O)=O	38530095	POPIZIJIGCXABX-UHFFFAOYSA-N	332.230	1.804	50	40	EDGB	
C/C(=N\NC(=O)CSc1nncn1C)c1ccc2c(c1)OCO2	5072337	BNRTZOMEGRGRCU-CXUHLZMHSA-N	333.373	1.176	50	40	EDGB	
C=C(CC(=O)OCCBr)C(=O)OCCBr	1679663	RCDYYVIUODNXOR-UHFFFAOYSA-N	343.999	1.809	50	40	EDGB	
COc1ccccc1NCC(=O)NNC(=O)c1ccc2c(c1)CCO2	65591001	KQLDXQWJSBRDIH-UHFFFAOYSA-N	341.367	1.503	50	40	EDGB	
Cc1n[nH]c2c1[C@]1(C(=O)N(C(C)C)c3ccccc31)C(C#N)=C(N)O2	5453508	NCSBXKXMYUZNPU-GOSISDBHSA-N	335.367	1.846	50	40	EDGB	
N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccnc2ccccc12	8747913	MPIYQRSUKPUUFX-INIZCTEOSA-N	347.330	1.898	50	40	EDGB	biogenic,in-vitro
Cc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccco3)CC2=O)cc1C	408615774	SCIQFBVJMQAPJG-ZDUSSCGKSA-N	341.367	1.711	50	40	EDGB	
COc1c(C)cccc1C(=O)NC(=S)NNC(=O)c1ccncc1	32118914	IKETZYBESPCKOF-UHFFFAOYSA-N	344.396	1.348	50	40	EDGB	
C#CCN1C(=O)/C(=N/NC(=O)CNc2ccc(C)cc2)c2ccccc21	5926470	YAAOSIVLUJNCQU-FCDQGJHFSA-N	346.390	1.907	50	40	EDGB	
COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccc(C)nc2)c1O	13496643	VDATZBGSCQQICH-CAOOACKPSA-N	330.300	1.776	50	40	EDGB	
COc1ccc(N2C[C@H](C(=O)NNC(=O)CC(C)C)CC2=O)cc1	30602884	AAUUHLLVBYCMAH-GFCCVEGCSA-N	333.388	1.242	50	40	EDGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	100840645	IQVUQEYFENLMCQ-AWNIVKPZSA-N	349.215	1.768	50	40	EDGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(N3CCOCC3)o2)c(F)c1	571789	UXQNJCOZBHYWNA-RGVLZGJSSA-N	342.330	1.891	50	40	EDGB	
O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)[C@H]1COc2ccccc2O1	30760489	UXBVJNRSQCLRNP-GESOSKEOSA-N	327.296	1.885	50	40	EDGB	
CCCCN(C(=O)CCl)c1c(N)n(CCCC)c(=O)[nH]c1=O	3278039	SKNUWCJPKWKNGJ-UHFFFAOYSA-N	330.816	1.291	50	40	EDGB	
CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CC(C)(C)C)c1	14244261	KHJGJAONLZZJDP-UHFFFAOYSA-N	341.433	1.134	50	40	EDGB	
Cc1cc(C)n(CC(=O)NNC(=O)c2cccc(C(F)(F)F)c2)n1	12869369	CBEUKHSDNBZDJB-UHFFFAOYSA-N	340.305	1.980	50	40	EDGB	
CCOC(=O)NNC(=O)c1ccc(I)cc1	12931303	VVQFUMKVNGMSBJ-UHFFFAOYSA-N	334.113	1.682	50	40	EDGB	
CCOC(=O)CC(CC(=O)OCC)=NNC(=O)c1ccccc1N	4054488	SYSSVRZWYSFWKT-UHFFFAOYSA-N	335.360	1.261	50	40	EDGB	
COc1ccc(CCNC(=O)CI)cc1OC	4105143	AMFGXZYHEJUEIH-UHFFFAOYSA-N	349.168	1.798	50	40	EDGB	
Cn1c(CC(=O)NNC(=O)[C@H]2C[C@@H]2c2ccco2)nc2ccccc21	95956167	LFQTYMPYIONPPB-RYUDHWBXSA-N	338.367	1.660	50	40	EDGB	
Cc1occc1C(=O)NNC(=O)NC[C@@H]1COc2ccccc2O1	31025625	IIAXRIXJJKKJCV-LLVKDONJSA-N	331.328	1.372	50	40	EDGB	
COc1ccccc1/C=N/NC(=O)CC(=O)NCCc1ccccc1	5361759	CFZPWROSJUNTQN-KGENOOAVSA-N	339.395	1.894	50	40	EDGB	
CN(CC(=O)N/N=C/c1ccc(F)cc1)S(=O)(=O)c1ccccc1	4574956	FKJOSKQJSXBUQL-WOJGMQOQSA-N	349.387	1.597	50	40	EDGB	
CC1=NN(C(=O)c2cccnc2)[C@@](C)(NNC(=O)c2cccnc2)C1	282677	GUUBIFMBZMVKRT-QGZVFWFLSA-N	338.371	1.349	50	40	EDGB	
Cc1ccc2c(c1)/C(=N\NC(=O)c1nc(O)c3ccccc3n1)C(=O)N2	6017055	KEQYJIIMSSCMKH-UHFFFAOYSA-N	347.334	1.730	50	40	EDGB	
COc1ccccc1C(=O)NNC(=O)c1cc(Br)c[nH]1	9114064	IKXQFNFDIWZVGS-UHFFFAOYSA-N	338.161	1.861	50	40	EDGB	
CC(C)(C)NNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1	9751107	ISICRIXHJMEYOL-UHFFFAOYSA-N	339.461	1.507	50	40	EDGB	
O=C(COC(=O)c1ccccc1)NNC(=O)c1ccccc1Cl	8433629	CEHVNYOGJUSQFU-UHFFFAOYSA-N	332.743	1.958	50	40	EDGB	
C/C(N)=C(\C#N)C(=O)COC(=O)C1(CC(=O)NC(C)(C)C)CCCC1	104704125	RKOZCYHDNUQQJH-SEYXRHQNSA-N	349.431	1.720	50	40	EDGB	
O=C(CC(=O)N/N=C/c1cccc(Cl)c1)NCc1cccnc1	59461570	KTYXSJCSAKWIQT-RGVLZGJSSA-N	330.775	1.892	50	40	EDGB	
O=C(NNC(=O)[C@@H]1CSCN1C(=O)C1CCCC1)c1ccccc1	69350884	ASYWHHOBXXTLSC-AWEZNQCLSA-N	347.440	1.539	50	40	EDGB	
COC(=O)COc1cccc(/C=N/NC(=O)CN2CCCCC2)c1	408840421	GCSFPFFGAKIVAR-WOJGMQOQSA-N	333.388	1.174	50	40	EDGB	
COC(=O)[C@H](N)CSSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	31667366	OAGKNHDDSWBZIK-SSDOTTSWSA-N	333.347	1.744	50	40	EDGB	
COC(=O)c1cnn(C)c1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2	253406112	UESDXYYQAMIGDV-LBPRGKRZSA-N	328.328	1.021	50	40	EDGB	
N#CC1=C(N)Oc2nc[nH]c(=O)c2[C@@H]1c1cccc(Br)c1	288848	IJNBOFRDNLUNSS-SNVBAGLBSA-N	345.156	1.751	50	40	EDGB	
C/C(=N\NC(=O)CN(c1ccccc1)S(C)(=O)=O)C(C)(C)C	19954101	ZZORGUHBTQCYGY-FOWTUZBSSA-N	325.434	1.991	50	40	EDGB	
Cc1cc(C)n(-c2ccc(C(=O)NNC(=O)[C@H]3CCCO3)cc2)n1	32262254	CPAYKRSUSYIVPX-OAHLLOKOSA-N	328.372	1.429	50	40	EDGB	
O=C(NN[C@H]1CCS(=O)(=O)C1)Nc1ccc(Cl)c(Cl)c1	10362349	WUSOZBRHBJBZPG-QMMMGPOBSA-N	338.216	1.807	50	40	EDGB	
COCc1ccc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1	12782359	PUQLDCBPVAIESI-MRXNPFEDSA-N	342.351	1.434	50	40	EDGB	
Cc1ccc(-c2nnc(CCC(=O)NNC(=O)[C@@H]3C[C@H]3C)o2)cc1	8852412	BBHFAEFMSMHDOU-DGCLKSJQSA-N	328.372	1.781	50	40	EDGB	
CC(C)C(=O)N/N=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1	83259665	XMTJEVRVSBPUTI-HSGPEQJXSA-N	347.415	1.467	50	40	EDGB	
N#CC1=C(SCC(N)=O)NC(=O)[C@@H](C#N)[C@@H]1c1ccccc1Cl	4078477	OPTLAPFEYXIVCZ-ZANVPECISA-N	346.799	1.647	50	40	EDGB	
CCCCn1c(=O)c2c(nc3n(CCCl)c(C)cn23)n(C)c1=O	10104375	MMMJCNFSTIDPFB-UHFFFAOYSA-N	337.811	1.497	50	40	EDGB	
CCOc1ccccc1-n1nnnc1SCC(=O)/C(C#N)=C(\C)N	25540864	RRLBCEOROWOVRC-ZHACJKMWSA-N	344.400	1.478	50	40	EDGB	
O=C(N/N=C/c1ccco1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	1574205	RDVGQQSJAPGAMX-VIZOYTHASA-N	336.691	1.930	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)s1	102221438	FMGGDYRUMRBWMI-UKJIMTQDSA-N	334.397	1.731	50	40	EDGB	
O=C(O)c1ccc(/C=N/NC(=O)c2ccc3c(c2)OCCO3)cc1	506798	REDXWVFLODFVJW-VCHYOVAHSA-N	326.308	1.920	50	40	EDGB	
CCN(CC)[C@@H]1S[C@H]2CS(=O)(=O)[C@H](Br)[C@@H]2S1	36724842	VMYACRIMMOHSLT-UYXSQOIJSA-N	346.337	1.978	50	40	EDGB	
O=C(N/N=C/c1ccc[nH]1)c1ccc(C(=O)N/N=C/c2ccc[nH]2)cc1	31156	BCIJCTTWABCTTL-XHQRYOPUSA-N	348.366	1.871	50	40	EDGB	
COc1ccc(/C=N/NC(=O)CNC(=O)c2cccc(F)c2)cc1	3080504	SJTHFTAABOZADY-KEBDBYFISA-N	329.331	1.714	50	40	EDGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c(OC)c1OC	4816039	AKICUIWDLAQIDY-ZDUSSCGKSA-N	342.355	1.962	50	40	EDGB	
O=C(CCCNC(=O)c1ccsc1)NNC(=O)c1ccccc1O	12756828	BYQQGWNADVDFGM-UHFFFAOYSA-N	347.396	1.425	50	40	EDGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(=O)n(C)c2)cc1	195735	AKCBTZITTOCFET-XDHOZWIPSA-N	326.400	1.995	50	40	EDGB	
CCOC(=O)c1nc2c([nH]1)OC(N)=C(C#N)[C@H]2c1ccc(F)cc1	5686419	GFNWKJBTCUIJBN-LLVKDONJSA-N	328.303	1.944	50	40	EDGB	
C[C@H](CNC(=O)CCBr)NC(=O)CCBr	1690611	QLGWJOAYVGAXIQ-SSDOTTSWSA-N	344.047	1.177	50	40	EDGB	
COc1ccc([C@H]2C(C#N)=C(N)NC(C(C#N)C#N)=C2C#N)cc1OC	101659605	WFKCLWDKPVMGCJ-MRXNPFEDSA-N	346.350	1.526	50	40	EDGB	
CCCc1c(C(=O)N/N=C/[C@@H]2CC=CCC2)nnn1-c1nonc1N	5478035	LHCYJTPASGWQTI-IYPWXLATSA-N	344.379	1.257	50	40	EDGB	
Cc1c(C(=O)NNC(=O)[C@H](C)N2CCOCC2)oc2ccccc12	84068140	ZSDPHNZEEGWRIU-LBPRGKRZSA-N	331.372	1.223	50	40	EDGB	
CCCc1cc(C(=O)NNC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cs1	6757559	UORYALHLDZCESL-OAACRXHESA-N	348.424	1.985	50	40	EDGB	
CO[C@H](C(=O)N/N=C/c1ccc(OCC(N)=O)cc1)c1ccccc1	28214371	GGAOUURHIVIPNL-PBGVMVHZSA-N	341.367	1.389	50	40	EDGB	
CS(=O)(=O)Cc1ccc(C(=O)NNC(=O)c2cccs2)cc1	7653270	YXQAFORVZFMQDW-UHFFFAOYSA-N	338.410	1.368	50	40	EDGB	
N#CC1=C(SCC(N)=O)N[C@@H](N)[C@@H](C#N)[C@H]1c1ccccc1Cl	19948522	FROLKSMEZVGXGF-CUOATXAZSA-N	347.831	1.405	50	40	EDGB	
CC(C)c1ccc(/C=N/NC(=O)CSc2nnc(O)[nH]c2=O)cc1	1280778	IAWBUVKGIUMUAT-FRKPEAEDSA-N	347.400	1.236	50	40	EDGB	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@H]1COc2ccccc2O1	12983619	PGJSGJCSAKWVKE-OAHLLOKOSA-N	346.770	1.870	50	40	EDGB	
CC(C)c1c(C(=O)N/N=C/[C@H]2CC=CCC2)nnn1-c1nonc1N	5092195	ZXFZWVWWBGFTBO-JVDJPWEPSA-N	344.379	1.428	50	40	EDGB	
C#CCN1C(=O)/C(=N\NC(=O)COc2cccc(C)c2)c2ccccc21	5981670	WCGOFIJUAJQCAK-QOCHGBHMSA-N	347.374	1.874	50	40	EDGB	
COCCOC(=O)/C(C#N)=C/c1cccc(OC)c1O[C@@H](C)C(=O)O	409245139	NYNJGOJEJWPFOH-GJSJWPQCSA-N	349.339	1.644	50	40	EDGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1	5544507	HVZAYCOGQYUDRB-VCHYOVAHSA-N	325.324	1.782	50	40	EDGB	
O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1ccc[nH]1	3117940	CGPRFPCELPZFJA-QGMBQPNBSA-N	349.188	1.657	50	40	EDGB	
Cc1cccc(C(=O)NNC(=O)CSc2nnc(C(C)C)n2C)c1	4881959	QZOBPVDDDHLDAC-UHFFFAOYSA-N	347.444	1.800	50	40	EDGB	
CS(=O)(=O)N(CC(=O)N/N=C\c1cccnc1)C1CCCCC1	108130015	UMKAPZAKQSZIRJ-BOPFTXTBSA-N	338.433	1.126	50	40	EDGB	
CCOC(=O)C/C(C)=N/NC(=O)CCC(=O)NCc1ccccc1	4523914	QNDIBEWFQKOGAH-CPNJWEJPSA-N	333.388	1.528	50	40	EDGB	
NC(=O)N1CCC[C@@H]1C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	5858666	AFVGHWNZTWQLMN-UDMGLPGGSA-N	348.447	1.283	50	40	EDGB	
Cn1c(CC(=O)NNC(=O)[C@@H]2C[C@@H]2c2ccco2)nc2ccccc21	95956166	LFQTYMPYIONPPB-NWDGAFQWSA-N	338.367	1.660	50	40	EDGB	
CCOC(=O)c1ccc(N/N=C(/C(=O)CCl)C(=O)OC)cc1	1465814	QSQGYZLHCKHTDM-ATVHPVEESA-N	326.736	1.612	50	40	EDGB	
COc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(OC)cc2)cc1	4838891	CGWRAKASUCXCDD-UHFFFAOYSA-N	343.339	1.104	50	40	EDGB	
Cc1ccc(S(=O)(=O)N/N=C2\C(=O)[C@H]3CC[C@@H]2[C@H]3Cl)cc1	102890437	SVYVWQVKXFYNOJ-KYJZYDEGSA-N	326.805	1.846	50	40	EDGB	
Cc1cc(C(=O)NNC(=O)c2ccccc2N2CCOCC2)c(C)o1	61111699	KXZYOZOJUDNDJV-UHFFFAOYSA-N	343.383	1.808	50	40	EDGB	
O=C(O)COc1cccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1	408749301	NKTONYGWZWWMAP-RQZCQDPDSA-N	343.295	1.822	50	40	EDGB	
C/C=N/NC(=O)Cn1c(CN2CCCCC2)nc2ccccc2c1=O	255187596	FOCMMQZHYBNVTG-FQJNFEMKSA-N	341.415	1.504	50	40	EDGB	
COc1ccc(CC(=O)NNC(=O)c2ccc(NC(C)=O)cc2)cc1	357473	QYHIMSNNPAORRX-UHFFFAOYSA-N	341.367	1.657	50	40	EDGB	
CCOC(=O)Cc1n[nH]c2c1[C@H](c1cccc(F)c1)C(C#N)=C(N)O2	500689	CSTCOGUCQYIRIW-CQSZACIVSA-N	342.330	1.873	50	40	EDGB	
COc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)ccc1O	409161298	MTFOLHGCSDXUEM-GIJQJNRQSA-N	328.324	1.822	50	40	EDGB	
O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C\c1ccccc1O	36077391	RCPBGQCWNBZBFH-OCKHKDLRSA-N	331.759	1.926	50	40	EDGB	
N#CC(C#N)=C(N)[C@@]1(C#N)[C@H](c2ccccc2Cl)[C@]1(C#N)C(N)=O	85409151	HDZWJHMOVMGVLJ-APHBMKBZSA-N	336.742	1.202	50	40	EDGB	
CCn1c(SCC(=O)NN)nnc1-c1ccccc1OC(F)F	2568948	NNPWRHOLSZFCJU-UHFFFAOYSA-N	343.359	1.648	50	40	EDGB	
O=C(N/N=C/c1cccnc1)C(=O)Nc1ccc(Br)cc1	4699476	BSBHLTWACUOAKP-RQZCQDPDSA-N	347.172	1.933	50	40	EDGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN2CCOCC2)c(O)c1	22633321	CNSKTNRXUHJARV-LDADJPATSA-N	334.420	1.021	50	40	EDGB	
COc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2ccccn2)c1	408719409	DJIAHAIIDNHUQC-VCHYOVAHSA-N	328.328	1.188	50	40	EDGB	
CCC1=C(C(=O)OC)[C@@]2(C(=O)Nc3ccccc32)C(C#N)=C(N)O1	480037	NOALMZXKAYAMQR-KRWDZBQOSA-N	325.324	1.438	50	40	EDGB	
COCCn1c(C)cc2c(c1=O)[C@H](c1ccco1)C(C#N)=C(N)O2	2329843	LEGHMNLGYKZMMW-AWEZNQCLSA-N	327.340	1.614	50	40	EDGB	
O=C(NNC(=O)c1cccnc1OCC(F)(F)F)c1ccccn1	24480183	SAUFMALYWCUQQW-UHFFFAOYSA-N	340.261	1.493	50	40	EDGB	
CCS(=O)(=O)[C@@H](I)[C@H](O)c1ccccc1	96519229	BCIDBLRQXIDWMQ-NXEZZACHSA-N	340.182	1.916	50	40	EDGB	
O=C(CCNc1ncccn1)NNC(=O)C12CC3CC(CC(C3)C1)C2	45858889	DLPBXRWREBUWNE-UHFFFAOYSA-N	343.431	1.642	50	40	EDGB	
CCN(CC)C(=O)C(=O)N/N=C(\C)CC(=O)Nc1ccc(C)cc1	5313752	KWGFPQLVZWTJBG-CPNJWEJPSA-N	332.404	1.684	50	40	EDGB	
O=C(NNC(=O)c1cccc(O)c1)/C(O)=C/C(=O)c1ccccc1	100932862	SRCFYWXSTZAQKU-GDNBJRDFSA-N	326.308	1.478	50	40	EDGB	
O=C(CCl)N(c1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1	217382420	OFUXFZWGXNXCCW-SNVBAGLBSA-N	331.777	1.174	50	40	EDGB	
O=C(Cn1cc(C(F)(F)F)ccc1=O)N/N=C/c1ccc(O)cc1	3188382	VMEAERDSGPGZIJ-FBCYGCLPSA-N	339.273	1.723	50	40	EDGB	
COc1ccc(NC(=S)NNC(=O)c2cccnc2)c(OC)c1	1405713	DUOWXJZFMFNNGS-UHFFFAOYSA-N	332.385	1.730	50	40	EDGB	
O=C(CCC(=O)NNC(=O)Nc1ccccc1)NCc1ccccc1	3261051	GBTCGSKDRWMNEF-UHFFFAOYSA-N	340.383	1.936	50	40	EDGB	
COc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc(OC)c1O	2807235	LDFJMRSXTUSAOF-ZNBBLSJYSA-N	330.340	1.593	50	40	EDGB	
CCn1c(CCl)nc2cc(S(=O)(=O)N3CCOCC3)ccc21	6119739	NYHTVVUCHJDWKV-UHFFFAOYSA-N	343.836	1.816	50	40	EDGB	
C[C@@H](NC(=O)COc1ccccc1)C(=O)NNC(=O)c1cccs1	6509702	CLRDRMAQMXTKRX-LLVKDONJSA-N	347.396	1.093	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)CNC(=O)c2ccc(F)cc2)cc1	15903893	QGWBYAYBQKIUMD-UHFFFAOYSA-N	329.331	1.325	50	40	EDGB	
CCC(=O)NNC(=O)[C@@H](C)N1CCN(Cc2ccccc2C)CC1	69707566	DUYQFQJBWIPTOU-OAHLLOKOSA-N	332.448	1.059	50	40	EDGB	
C=CCNC(=O)CC(=O)N/N=C/c1ccc(OCC=C)c(OCC)c1	408718455	OXJQONRNAJTYPA-DEDYPNTBSA-N	345.399	1.793	50	40	EDGB	
CCOc1cc(/C=C(\C#N)C(=O)NCCOC)ccc1OCC(=O)O	408796362	AEEKTFWRCBCPIX-MDWZMJQESA-N	348.355	1.218	50	40	EDGB	
Cc1cnn(C)c1S(=O)(=O)N1CCC2(CC1)C[C@H]2Br	1615055633	OWPJAIKNNIMBLL-SNVBAGLBSA-N	348.266	1.667	50	40	EDGB	
O=C(N/N=C\c1ccc(O)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2	32116985	BSDLMCLVPFQJAW-APSNUPSMSA-N	329.268	1.793	50	40	EDGB	
C/C(N)=C(\C#N)C(=O)COC(=O)/C=C/c1ccc(Br)o1	104772307	ARYHNWDQRBXCPR-BVDZGSKYSA-N	339.145	1.924	50	40	EDGB	
C=CCOC(=O)C1=C(C)NC(=O)[C@]12C(C#N)=C(N)Oc1ccccc12	4517221	DQXOPTKOUCYPGJ-GOSISDBHSA-N	337.335	1.144	50	40	EDGB	
O=C(/C=C/C(=O)OCCBr)OCCBr	4727130	RHVDRKUDYLMOFM-OWOJBTEDSA-N	329.972	1.419	50	40	EDGB	
Cc1c(C(=O)NNC(=S)NC[C@@H]2CCCO2)cccc1[N+](=O)[O-]	17070984	XDWJVKRJLAMJFY-JTQLQIEISA-N	338.389	1.191	50	40	EDGB	
CCN(CC)c1ccc(/C=N\NC(=O)CN2CCOCC2)c(O)c1	97636045	CNSKTNRXUHJARV-PDGQHHTCSA-N	334.420	1.021	50	40	EDGB	
CN1CCN(CCC(=O)N/N=C/c2c(O)ccc3ccccc23)CC1	19370582	NMSYYPYCNXJHCD-XSFVSMFZSA-N	340.427	1.633	50	40	EDGB	
Cc1cc(C(=O)NNC(=O)NC2CCN(C(=O)C3CC3)CC2)c(C)o1	32803008	FGGVDPBLQOSSQU-UHFFFAOYSA-N	348.403	1.241	50	40	EDGB	
CCC(O)(CC)C(=O)NN(C(=O)CN1CCCC1)c1ccccc1	2193583	AMFXIDDZAXWKJB-UHFFFAOYSA-N	333.432	1.698	50	40	EDGB	
CC(=O)c1c(NNC(=O)Cn2nnc3ccccc32)oc(C)cc1=O	8048449	HCDFEMIVIVVWKZ-UHFFFAOYSA-N	341.327	1.039	50	40	EDGB	
O=C(NNC(=O)c1cccc2c1OCCO2)c1cccc([N+](=O)[O-])c1	67018327	GIMRZGCGIREKRR-UHFFFAOYSA-N	343.295	1.441	50	40	EDGB	
O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1cc2ccccc2[nH]1	7810502	MNDRYILTHXIXMX-UHFFFAOYSA-N	347.334	1.479	50	40	EDGB	
Cc1ccccc1[C@@H](O)[C@@H](I)S(C)(=O)=O	96519203	XQCSUUNWCNCHRT-ZJUUUORDSA-N	340.182	1.834	50	40	EDGB	
Cn1c(CC(=O)NNC(=O)CCc2ccco2)nc2ccccc21	52988225	HOUVBRZEFJGQSB-UHFFFAOYSA-N	326.356	1.489	50	40	EDGB	
Cc1cccc(OCC(=O)NNC(=O)c2cccc(N(C)C)c2)c1	3431131	BDFCYKJEKLXNLL-UHFFFAOYSA-N	327.384	1.901	50	40	EDGB	
Cc1cc(OCC(=O)NNC(=O)c2ccc(=O)[nH]c2)ccc1Cl	14166279	VTOGECUQWLIZMA-UHFFFAOYSA-N	335.747	1.177	50	40	EDGB	
COc1cccc(CC(=O)NNC(=O)Cc2cn3ccsc3n2)c1	9338055	UBBJWZBBLRQBPP-UHFFFAOYSA-N	344.396	1.337	50	40	EDGB	
Nc1nonc1C(=O)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1	408719385	DCWJQAHOTLNDRI-REZTVBANSA-N	341.283	1.374	50	40	EDGB	
O=c1nc2n(c3[nH]ncc13)[C@H](CI)CS2	32594527	CWBQQQJZMIXOLI-SCSAIBSYSA-N	334.142	1.201	50	40	EDGB	
CC[C@@H](C(=O)NN/C(C)=C1\C(=O)NC(=O)SC1=O)c1ccccc1	95101242	JLEVBGZCZUWZFM-LWMMSDEHSA-N	347.396	1.585	50	40	EDGB	
CCO/C=C(\C#N)C(=O)N[C@H](CC(C)C)c1nc(C(=O)OCC)n[nH]1	585086083	UJJDOJHYZCBEPG-LMMOQWNQSA-N	349.391	1.629	50	40	EDGB	
Cn1cc([N+](=O)[O-])c(C(=O)N/N=C/c2c(F)cccc2Cl)n1	482896	MGAUPRSIOWOAAF-PJQLUOCWSA-N	325.687	1.885	50	40	EDGB	
C/C(N)=C(\C#N)C(=O)COC(=O)C1=NN(c2ccccc2)C(=O)CC1	104352582	KIPDGQGLTJZVFW-QBFSEMIESA-N	340.339	1.038	50	40	EDGB	
NNC(=O)[C@H](NC(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2	3899902	PIBGLGWSGAREAF-QAQURRIXSA-N	327.428	1.991	50	40	EDGB	
COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)c(OC)c1	3057700	WETVDUOQYVAZPV-UDWIEESQSA-N	341.367	1.470	50	40	EDGB	
O=C(N/N=C/c1ccccc1)c1[nH]ncc1I	370571	VRYFOHLKOCLPKQ-AWNIVKPZSA-N	340.124	1.778	50	40	EDGB	
C/C(=N\NC(=O)C[N+](C)(C)C)[C@@H](CN(C)C)C(=O)Nc1ccccc1	16958067	RRZSYXWJRYGDBN-ZGPWBKFBSA-O	348.471	1.001	50	40	EDGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(C(=O)O)cc1	58884936	UZVBPLFRGUHZNM-VCHYOVAHSA-N	325.324	1.782	50	40	EDGB	
CNC(=O)c1ccc(CNC(=O)NNC(=O)c2ccccc2C)cc1	45116256	BLLNNXZCRLGEGW-UHFFFAOYSA-N	340.383	1.499	50	40	EDGB	
COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cccnc1	2435710	UAKIVVHYSRMHJA-GIJQJNRQSA-N	332.747	1.832	50	40	EDGB	
O=C(N/N=C/c1cccc(O)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	3465868	INDVAGLWXXLLHG-VIZOYTHASA-N	346.255	1.678	50	40	EDGB	
O=C(NNC(=O)c1ccccc1N1CCOCC1)c1ccccc1F	61111289	VEXYKVJJYNLYDG-UHFFFAOYSA-N	343.358	1.737	50	40	EDGB	
COc1ccc(/C=N/NC(=O)c2nn(C)c(=O)c3ccccc23)cc1	6507300	KJFWOLVORKFDTH-YBFXNURJSA-N	336.351	1.706	50	40	EDGB	
CC(C)(C)C(=O)NNS(=O)(=O)c1cc(F)c(F)c([N+](=O)[O-])c1	1615552333	SVTRUFRBRJKXDL-UHFFFAOYSA-N	337.304	1.229	50	40	EDGB	
C[C@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)c1ccc(F)cc1)CS2	12982441	WRYYKATUNFPWAV-ABAIWWIYSA-N	337.376	1.041	50	40	EDGB	
COc1cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])ccc1O	3027416	BCWXDFXNAHFIBN-RQZCQDPDSA-N	345.311	1.838	50	40	EDGB	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccc2c(c1)OCO2	14022363	PCJGKBNRISAWPE-OAHLLOKOSA-N	342.307	1.016	50	40	EDGB	
CNC(=O)/C(C#N)=C/c1cn(CC(=O)NCCOC)c2ccccc12	5014753	LOQQKUXWRGZYQR-UKTHLTGXSA-N	340.383	1.057	50	40	EDGB	
CCc1cc(C(=O)NNC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cs1	6791614	LXNODHIEMFXRQV-DTVLGXAZSA-N	334.397	1.594	50	40	EDGB	
COCCNC(=O)/C(C#N)=C/c1ccc(I)o1	408800285	LMYIASUOUSSZFL-SOFGYWHQSA-N	346.124	1.554	50	40	EDGB	
COc1cc(/C=C/C(=O)NNC(N)=S)ccc1OCCC(C)C	62714882	OXJCSYMDIJXBAO-FNORWQNLSA-N	337.445	1.998	50	40	EDGB	
CN(NC(=O)c1cccnc1Cl)c1cnn(C)c(=O)c1Cl	153081	WAFVXBAIMYCPEK-UHFFFAOYSA-N	328.159	1.263	50	40	EDGB	
O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)[C@@H]1COc2ccccc2O1	30760488	UXBVJNRSQCLRNP-MBBOSUJBSA-N	327.296	1.885	50	40	EDGB	
COc1cccc(OCC(=O)NNC(=O)CCc2ccccc2)c1	4894828	JDMPYCBXEXGJCE-UHFFFAOYSA-N	328.368	1.854	50	40	EDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccco1)Cc1ccccc1	6453910	AABVKIBFQNZJLH-MHWRWJLKSA-N	335.385	1.192	50	40	EDGB	
C=CC(=O)OC[C@@H](O)CNCCC[Si](OCC)(OCC)OCC	170025014	PVLBXNICXUCXTA-AWEZNQCLSA-N	349.500	1.105	50	40	EDGB	
CC(C)Oc1ccc(C(=O)NNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1	13254433	QXGFXIPHXXKVDR-CABCVRRESA-N	346.383	1.902	50	40	EDGB	
C/C(Cc1ccccc1)=N\NC(=O)CNC(=O)COc1ccccc1	4815125	CPNADDYXQGUZDF-RCCKNPSSSA-N	339.395	1.916	50	40	EDGB	
O=C(COc1ccc(N2CCCC2=O)cc1)NNC(=O)c1ccco1	17257516	PMLIVAZKFIZDNC-UHFFFAOYSA-N	343.339	1.246	50	40	EDGB	
COc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Cl)c1OC	33957422	AFVJAHPDTOWOAK-RQZCQDPDSA-N	341.795	1.140	50	40	EDGB	
CS(=O)(=O)N1CCC[C@H](C(=O)N/N=C/c2ccc(F)s2)C1	252482119	CYTROGRMVDXCNJ-DUJAKZANSA-N	333.410	1.009	50	40	EDGB	
C[C@@H]1C[C@@H]1C(=O)NCCC(=O)NNc1c(F)c(F)nc(F)c1F	31491307	FFNXQPWPDCBDSB-RITPCOANSA-N	334.273	1.243	50	40	EDGB	
COS(=O)(=O)C(=O)N[C@H]1CCCC[C@@H]1I	1712347	JFCWZSSYFOQMLI-BQBZGAKWSA-N	347.174	1.418	50	40	EDGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2sccc2C)cc1	59435541	LBXGXHXMIIDTAL-VCHYOVAHSA-N	331.397	1.832	50	40	EDGB	
COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc([N+](=O)[O-])c1O	36130083	LORGCOYKVCQARV-JVOXIWMLSA-N	347.327	1.511	50	40	EDGB	
COCCCNC(=O)CC(=O)N/N=C/c1cccc2ccccc12	59459718	ITPVQUSCLICCBR-DEDYPNTBSA-N	327.384	1.833	50	40	EDGB	
Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccncc2)cc1Cl	32118818	QINGXNVQTXNOMQ-UHFFFAOYSA-N	348.815	1.993	50	40	EDGB	
O=C(Cc1ccc(Cl)cc1)NC(=S)NNC(=O)c1ccncc1	32119217	UHXNXVOZXFBNAX-UHFFFAOYSA-N	348.815	1.613	50	40	EDGB	
C=CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3[nH]nc(C)c32)c2ccccc21	5687147	KOMGBGNJDMEIJB-SFHVURJKSA-N	333.351	1.623	50	40	EDGB	
CC(=O)N/N=C1/C(=O)N([C@@H]2OC(=O)c3ccccc32)c2ccccc21	5817072	BORMHZADHPAAOQ-FABDANFUSA-N	335.319	1.743	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1	13006304	AZIQOMGJNXKMLO-LRDDRELGSA-N	333.413	1.210	50	40	EDGB	
C=CCNC(=S)NNC(=O)c1cccn(Cc2ccccc2)c1=O	3041824	UJQASOOFRCKDNY-UHFFFAOYSA-N	342.424	1.192	50	40	EDGB	
O=C(/C=C/c1cccs1)NC(=S)NNC(=O)c1cccnc1	2316538	WGJMYLGBGDZEBV-AATRIKPKSA-N	332.410	1.492	50	40	EDGB	
Cc1cccc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)c1O	4132487	WUGHNYZQNCMZBU-VCHYOVAHSA-N	336.355	1.504	50	40	EDGB	
NNC(=O)CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1	409226349	NBAWNEKVGJEEBF-UHFFFAOYSA-N	347.440	1.130	50	40	EDGB	
C[C@H](C(=O)NNC(=O)c1cccs1)N1C(=O)c2ccccc2C1=O	7717982	MEYLGAZMWTWBOB-SECBINFHSA-N	343.364	1.194	50	40	EDGB	
Cc1ccc(O)c(/C=N/NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)c1	340166	USAUYBQMCJBALV-RKCKRZLHSA-N	337.379	1.681	50	40	EDGB	
CNC(=S)NNC(=O)Cc1ccc(OC)c(Br)c1	495750	SLENWRBYJZCDBL-UHFFFAOYSA-N	332.223	1.125	50	40	EDGB	
COc1ccc(C(=O)NNC(=O)CCC(=O)Nc2cc(C)on2)cc1	4169240	STDIFRUNJPMUPN-UHFFFAOYSA-N	346.343	1.172	50	40	EDGB	
O=C(Cn1ccc(C(F)(F)F)n1)N/N=C/c1ccc2c(c1)OCO2	3226517	QCVIGVDAUAECMV-NGYBGAFCSA-N	340.261	1.781	50	40	EDGB	
O=C1Nc2ccccc2/C1=N/NC(=O)c1cncc(Br)c1	5731661	ZUJCZABAKQPDTG-UHFFFAOYSA-N	345.156	1.930	50	40	EDGB	
O=C(NN[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O)c1cccnc1	100234	SQYHUXRKASFAAF-CYBMUJFWSA-N	344.758	1.302	50	40	EDGB	
COc1cccc(/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)c1	5720947	LBAHQTZELRENHG-GZTJUZNOSA-N	347.396	1.124	50	40	EDGB	
COc1ccc(C(=O)NNS(=O)(=O)c2ccc(OC)cc2)cc1	290061	JKLUZSZFOWYPQW-UHFFFAOYSA-N	336.369	1.327	50	40	EDGB	
Cc1ccccc1OCC(=O)NNC(=O)[C@H]1CCCC[C@H]1C(=O)O	357354	FQJWJPZPMYPOQV-QWHCGFSZSA-N	334.372	1.412	50	40	EDGB	
O=C(NNC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1)c1cccs1	47932079	WLJIKBUGSLIHKK-LBPRGKRZSA-N	333.344	1.841	50	40	EDGB	
Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)NN)cc3C[C@H]2C)cc1	10326374	CJHMALQPTXNNGR-GFCCVEGCSA-N	345.424	1.738	50	40	EDGB	
COc1ccc(OC)c(NC(=S)NNC(=O)c2ccncc2)c1	1405701	LRQUNYGZXFOYCU-UHFFFAOYSA-N	332.385	1.730	50	40	EDGB	
COc1ccc([C@@H](C)NC(=O)C(=O)N/N=C/c2ccccc2O)cc1	59516239	WXBYRNSCMJZMRU-ZGXHQARYSA-N	341.367	1.728	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)Cn2nnc(-c3ccccc3)n2)cc1	8346573	GTHRDHBCLSAYGL-UHFFFAOYSA-N	336.355	1.110	50	40	EDGB	
COC(=O)COc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1	409261722	DBKFMJCGKGNKII-HDZGYNCQSA-N	342.351	1.422	50	40	EDGB	
NC(=O)COc1ccc(/C=N\NC(=O)c2ccccc2)cc1Cl	409261400	BOVKXSRXBSRVPS-OCKHKDLRSA-N	331.759	1.968	50	40	EDGB	
N#CCC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1	28214282	QENQOOWZKWIOJQ-KEBDBYFISA-N	340.339	1.339	50	40	EDGB	
CC(C)(C)C(=O)NNC(=O)Cc1nnc(NC(=O)C(C)(C)C)s1	33879696	RWXKOMZKXSKGMS-UHFFFAOYSA-N	341.437	1.259	50	40	EDGB	
CS(=O)(=O)[C@@H](I)C(=O)c1cccc(N)c1	96517918	ONQGCNLOSJFCBB-SECBINFHSA-N	339.154	1.257	50	40	EDGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2cccs2)c1C#N	195442	CNUFUURDMNZKSW-QGMBQPNBSA-N	344.396	1.999	50	40	EDGB	
Cn1c(CC(=O)N/N=C/c2ccccc2C(=O)O)nc2ccccc21	3579356	ZVGDLAORZNWOHN-YBFXNURJSA-N	336.351	1.964	50	40	EDGB	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(=O)O)c(C)c1	6844024	DTEBGNMWVPOVNY-ZIAGYGMSSA-N	348.399	1.721	50	40	EDGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(C(=O)O)c(O)c1	28629588	XFNRDKSPTGSQEE-GHXNOFRVSA-N	327.296	1.225	50	40	EDGB	
N#CC1=C(SCC(=O)N2CCOCC2)NC(=O)C[C@H]1c1ccco1	409139047	LTGDCJFYNLNOKO-LLVKDONJSA-N	347.396	1.210	50	40	EDGB	
COc1ccc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1	5266697	JNISLGOJUFFBKU-UHFFFAOYSA-N	338.367	1.586	50	40	EDGB	
C=CCc1cc(/C=N/NC(C)=O)cc(OC)c1OCC(=O)OCC	409011757	IKLFDZFENKWHJW-VCHYOVAHSA-N	334.372	1.836	50	40	EDGB	
Cc1cccc([C@H](O)[C@@H](I)S(C)(=O)=O)c1	96519210	FGANCCPJHWZGME-UWVGGRQHSA-N	340.182	1.834	50	40	EDGB	
Cc1cc(S(=O)(=O)NNC(=O)CC(C)(C)C)c([N+](=O)[O-])s1	585119423	HKUMCFSABRSFPR-UHFFFAOYSA-N	335.407	1.710	50	40	EDGB	
CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)CCCC(=O)O	12137216	CBCOUWVMDWUJMA-LBPRGKRZSA-N	336.388	1.981	50	40	EDGB	
Cn1c(=O)c2c(nc(CN=C=S)n2Cc2ccccc2)n(C)c1=O	1723113	ONUOBAZZFRTFOM-UHFFFAOYSA-N	341.396	1.085	50	40	EDGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1O)[C@@H]1COc2ccccc2O1	13597103	FTHRCKNDVXGPHI-RHUPODBASA-N	343.295	1.591	50	40	EDGB	
O=S(=O)(O)SCc1ccccc1CSS(=O)(=O)O	1702364	AEUHDBCSTWJMCU-UHFFFAOYSA-N	330.430	1.759	50	40	EDGB	
COc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1oc(CO)cc2=O	100174891	RPBBBSCVSPNVAX-AWEZNQCLSA-N	326.308	1.359	50	40	EDGB	
O=C(CN1CCOCC1)N/N=C/c1cc(Cl)c(O)c(Cl)c1	5995916	ASMHIOYYLWMGOR-FRKPEAEDSA-N	332.187	1.481	50	40	EDGB	
CC1=NN(c2cccc(C)c2)C(=O)/C1=C\NNC(=O)c1ccncc1	408535433	SQXYWTOZINWPHA-WJDWOHSUSA-N	335.367	1.931	50	40	EDGB	
CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N\Nc1ccc(C)cc1C	96193586	GWTDLSDDSTZATH-HKWRFOASSA-N	326.356	1.273	50	40	EDGB	
O=C(CN1CCCC1)N/N=C/c1cc(Br)ccc1O	4724258	FGEHJUGRKIODAH-OVCLIPMQSA-N	326.194	1.701	50	40	EDGB	
O=C(NNC(=O)c1ccccc1O)c1ccc(Br)o1	8878345	ARHDIOGADDVSAM-UHFFFAOYSA-N	325.118	1.823	50	40	EDGB	
Cc1ccc(C(=O)[C@@H](I)S(C)(=O)=O)cc1	96517920	MCAXDRUUDBZJIK-JTQLQIEISA-N	338.166	1.983	50	40	EDGB	
NC(=O)N/N=C(/C[C@H]1C(=O)Oc2ccccc21)c1ccccc1O	5834389	LPFOIVNYAIWPNX-ORVAQUOPSA-N	325.324	1.858	50	40	EDGB	
CCc1cccc(N2C[C@H](C(=O)NNC(=O)c3ccco3)CC2=O)c1	12917426	LFPFPIXXHYSXRX-CYBMUJFWSA-N	341.367	1.656	50	40	EDGB	
COc1ccc([C@@H]2CC(=O)NC(SCC(N)=O)=C2C#N)cc1OC	349853	ZQFFQBCDBJNGBW-JTQLQIEISA-N	347.396	1.261	50	40	EDGB	
CCCCC1([C@H](CBr)OCC)C(=O)NC(=O)NC1=O	1710390	XTUYPTMXCIUKEZ-QMMMGPOBSA-N	335.198	1.329	50	40	EDGB	
CC(C)CCn1c(SCCCl)nc2c1c(=O)[nH]c(=O)n2C	2026389	FHHUURRUSWTZJW-UHFFFAOYSA-N	330.841	1.800	50	40	EDGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)C(=O)NC1CC1	3664097	BJEYUEIEEAXSPS-UDWIEESQSA-N	337.379	1.994	50	40	EDGB	
O=C(CCl)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1	9428900	KNPLACWNGKQKQV-UHFFFAOYSA-N	338.763	1.037	50	40	EDGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(O)c(O)c1	408566250	FJUZINFFECAWAO-LZYBPNLTSA-N	331.284	1.779	50	40	EDGB	
O=C(N/N=C(/S)NC(=O)C(Cl)(Cl)Cl)c1ccncc1	32119244	RTYVEPKHBBYQHT-UHFFFAOYSA-N	341.607	1.499	50	40	EDGB	
CC(=O)NNc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1	40463182	YRBOWXBJZWMMJS-UHFFFAOYSA-N	326.403	1.645	50	40	EDGB	
COC(=O)c1ccc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)cc1	4595514	AZILUEIEIFRONN-MDWZMJQESA-N	337.339	1.180	50	40	EDGB	
O=C(N/N=C/c1cccnc1)C(=O)Nc1cccc(Br)c1	5568496	LKNTXULPOFUZAH-RQZCQDPDSA-N	347.172	1.933	50	40	EDGB	
COc1ccc(CC(=O)NNC(=O)c2ccccc2C(=O)O)cc1	68644	YEXZZGOIJRUIBA-UHFFFAOYSA-N	328.324	1.397	50	40	EDGB	
O=C(C[C@@H]1C=CCC1)NNC(=O)c1nn(-c2ccccc2)cc1O	12568105	GSTBOTQJJOWXLF-GFCCVEGCSA-N	326.356	1.695	50	40	EDGB	
COC1CCN(C(=O)NNC(=O)c2cccc3cccnc23)CC1	64640069	ODAJVWYZBGQJRY-UHFFFAOYSA-N	328.372	1.700	50	40	EDGB	
O=C(CCCn1cncn1)NNc1nc(-c2ccc(Cl)cc2)no1	69769713	AZMCZTYQVLZNQF-UHFFFAOYSA-N	347.766	1.905	50	40	EDGB	
CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)/C(C#N)=C(/C)N	33597395	DBSJPQDVUNBMCN-WFVWYMPTSA-N	327.340	1.032	50	40	EDGB	
COc1cccc(C(=O)NNC(=O)Cc2ccc(OC)c(OC)c2)c1	290015	XWBPYFYQOBCHLJ-UHFFFAOYSA-N	344.367	1.716	50	40	EDGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cccnc2)cc1Cl	58884817	DVURYDXHTSLXSM-GIJQJNRQSA-N	332.747	1.832	50	40	EDGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)C(=O)NC1CCCCCC1	409006945	SWJDJNCKHWYVGL-VCHYOVAHSA-N	331.372	1.704	50	40	EDGB	
COCCNC(=S)NNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1	408588786	YRGIEPIIKGLUOV-UHFFFAOYSA-N	338.345	1.096	50	40	EDGB	
O=C(NNC(=S)NC(=O)c1ccccc1Cl)c1ccncc1	12501646	JAFCLMQTLZPUPZ-UHFFFAOYSA-N	334.788	1.684	50	40	EDGB	
COc1cc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)ccc1O	20857782	OVFHPMQODZMPSG-UHFFFAOYSA-N	331.284	1.384	50	40	EDGB	
Cc1scc(C(=O)NNC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)c1C	4651625	AJXALPZZKVFHDX-KXNHARMFSA-N	338.385	1.004	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1C	12942876	YKZJUDSVABTZHH-INIZCTEOSA-N	326.352	1.904	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c(C)c1	12918404	ODDBUVDZZFFPFH-INIZCTEOSA-N	326.352	1.904	50	40	EDGB	
Cc1n[nH]c2c1[C@]1(C(=O)Nc3ccc(Cl)cc31)C(C#N)=C(N)O2	8577187	IVJCZSQDWZMANR-OAHLLOKOSA-N	327.731	1.696	50	40	EDGB	
CCc1nsc(N2CCN(C(=O)/C(C#N)=C\c3ccco3)CC2)n1	98052845	ANZORHXKDAKUME-BENRWUELSA-N	343.412	1.949	50	40	EDGB	
C[C@H]1CCc2sc(C(=O)NNC(=O)[C@H](C)S(C)(=O)=O)cc2C1	44950275	FKFMKTXPEDEWOO-IUCAKERBSA-N	344.458	1.067	50	40	EDGB	
CC(C)c1ccccc1OCCC(=O)NNC(=O)CN1CCCC1=O	585137559	FITKPUUEPNJRCQ-UHFFFAOYSA-N	347.415	1.349	50	40	EDGB	
O=C(COc1ccc([N+](=O)[O-])cc1)NN=Cc1ccc2c(c1)OCO2	11582529	UITCRYNOCYQUDY-UHFFFAOYSA-N	343.295	1.853	50	40	EDGB	
CC1=C(N2CC2)C(=O)c2nc3n(c2C1=O)CC[C@H]3OC(=O)CCl	13215407	PNJHXCRCPJOGIV-MRVPVSSYSA-N	335.747	1.079	50	40	EDGB	
O=C(Cc1nnc(NC(=O)CCl)s1)N/N=C/c1ccco1	6322449	AIHVXKBBQKLMNS-AWNIVKPZSA-N	327.753	1.001	50	40	EDGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)Nc1ccc(F)cc12	50644	SBKWXFCHFMHFDT-QGZVFWFLSA-N	343.314	1.577	50	40	EDGB	
CCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)NN)c1	225500994	VFJDSCNZCMZJNA-UHFFFAOYSA-N	335.385	1.490	50	40	EDGB	
O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2	13602323	BSDLMCLVPFQJAW-FRKPEAEDSA-N	329.268	1.793	50	40	EDGB	
O=C(COc1ccccc1)NNC(=O)COc1ccc(Cl)cc1	3069544	BBEWOBSBJMRTBT-UHFFFAOYSA-N	334.759	1.945	50	40	EDGB	
COCCCNC(=O)C(=O)N/N=C/c1cccc(Cl)c1Cl	59444298	GODIDOYJNKHVJC-CAOOACKPSA-N	332.187	1.596	50	40	EDGB	
COc1ccc(OC)c(/C=N/NC(=O)C(=O)NCc2ccco2)c1	59515409	MMRAQOSUJQHOGD-GIJQJNRQSA-N	331.328	1.063	50	40	EDGB	
CCOC(=O)/C(=N/Nc1ccc(C(=O)OC)cc1)C(=O)CCl	2886808	AZABQECHHDIIQB-SFQUDFHCSA-N	326.736	1.612	50	40	EDGB	
CCOC(=O)NNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O	9388526	CHFWBUOGHAVAGY-JTQLQIEISA-N	343.792	1.920	50	40	EDGB	
Cc1cccc(C(=O)NCCC(=O)NNC(=O)c2cccs2)c1	9885465	XIPOQPLSEJAOTG-UHFFFAOYSA-N	331.397	1.638	50	40	EDGB	
CS(=O)(=O)c1ccc(CCNC(=O)/C(C#N)=C\c2ccco2)cc1	98013533	RHBRFDOKAGVRBS-KAMYIIQDSA-N	344.392	1.949	50	40	EDGB	
CCOc1ncccc1C(=O)NNC(=O)CNc1ccccc1OC	8707068	KCEOSVGIYUXQLN-UHFFFAOYSA-N	344.371	1.362	50	40	EDGB	
O=C(O)c1ccc(N(C(=O)CCl)[C@@H]2CCS(=O)(=O)C2)cc1	40177566	PWKJDJXHPUVAPK-LLVKDONJSA-N	331.777	1.144	50	40	EDGB	
NNC(=O)c1cnc(COc2ccccc2Cl)nc1N1CCCC1	223460681	PUXYGKYVQPZTEJ-UHFFFAOYSA-N	347.806	1.913	50	40	EDGB	
COc1ccc(NCC(=O)NNC(=O)[C@H]2CC2(Cl)Cl)cc1	12543171	BMZJRBIHCBMKJD-SNVBAGLBSA-N	332.187	1.448	50	40	EDGB	
COC(=O)CCC(=O)NNC(=O)CCC(=O)Nc1cc(C)ccc1C	4576016	CZWXKNBAKNCCNY-UHFFFAOYSA-N	349.387	1.123	50	40	EDGB	
CC(C)/C=C(\C#N)C(=O)N1CCC2(CC1)C[C@H](N(C)C)[C@@](C)(O)CO2	585290459	WMDCEJANFONBHU-XVKGOSMNSA-N	349.475	1.555	50	40	EDGB	
CCOC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1	208680690	LGEMFUDJGGZCQW-UKTHLTGXSA-N	331.328	1.901	50	40	EDGB	
COC1=C(C#N)[C@H](c2cc3c(cc2Cl)OCO3)C(C#N)=C(N)N1	3073732	DDCOQDJQGGCQSR-CYBMUJFWSA-N	330.731	1.831	50	40	EDGB	
Cc1ccccc1C(=O)NNC(=S)NC(=O)COc1ccccc1	2135527	DDEZSCOGXYTSKY-UHFFFAOYSA-N	343.408	1.710	50	40	EDGB	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)NC2CC2)c1C	3375903	VUWGULQMSPTJTA-OQLLNIDSSA-N	345.399	1.480	50	40	EDGB	
COc1ccc(OCC(=O)N/N=C/c2cc(C#N)n(C)c2C)cc1	3441416	VNDMFMSFZTYMCR-VXLYETTFSA-N	326.356	1.743	50	40	EDGB	
CC[C@@H](C(=O)N/N=C/c1cnn(CC)c1F)n1cc([N+](=O)[O-])cn1	252489753	JZFAPJUFEAOMLK-QZSDQICDSA-N	337.315	1.248	50	40	EDGB	
Cc1csc(C(=O)NNC(=O)Cc2nnc(O)c3ccccc23)c1	1623393728	GJGUQSMEDCPVBK-UHFFFAOYSA-N	342.380	1.709	50	40	EDGB	
COc1cccc(/C=N/NC(=O)c2cccnc2)c1O[C@H](C)C(=O)O	6267178	VLXIQQBZTUQEJK-VURRPDKYSA-N	343.339	1.706	50	40	EDGB	
COc1ccc(/C=C(\C#N)C(=O)NCCCN2CCOCC2)cc1	21486548	BWRQCZONMHAVSS-DTQAZKPQSA-N	329.400	1.441	50	40	EDGB	
COC(=O)CSC1=C(C#N)[C@H](c2ccc(OC)cc2)CC(=O)N1	301323	TZGSOOSUQKXUFN-LBPRGKRZSA-N	332.381	1.940	50	40	EDGB	
Nc1nccnc1C(=O)NNC(=O)c1cc2c(s1)CCCCCC2	10289323	GQUZWCCQXRNMBK-UHFFFAOYSA-N	345.428	1.854	50	40	EDGB	
Cc1cc(C(=O)NNC(=O)Cn2ccc(=O)c3ccccc32)c(C)o1	58426220	VZCZMESLZIWSTA-UHFFFAOYSA-N	339.351	1.673	50	40	EDGB	
O=C(O)/C=C\C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1	107036976	VWCALIVHYCFSIX-KHPPLWFESA-N	340.335	1.667	50	40	EDGB	
O=C(CSc1ccc(Cl)cc1)NNC(=O)c1cccnc1O	12979518	GVPXVOKDZWOBLO-UHFFFAOYSA-N	337.788	1.994	50	40	EDGB	
N#CC1=CS/C(=C2\C(=O)NN(c3ccccc3)C2=O)S[C@@H]1N	24718185	VTTXBPRRXGETTO-HKLRHMNMSA-N	330.394	1.448	50	40	EDGB	
COc1ccc(S(=O)(=O)NNC(=O)Cc2ccc(F)cc2)cc1	7388001	GXLIIGRJJFGEEA-UHFFFAOYSA-N	338.360	1.387	50	40	EDGB	
COC(=O)COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21	9704075	ANILXRLAFGKYGJ-OAHLLOKOSA-N	340.339	1.488	50	40	EDGB	
COC(=O)c1sccc1NC(=S)NNC(=O)c1csnn1	1775969130	YOWLXEFPXOWKFX-UHFFFAOYSA-N	343.415	1.018	50	40	EDGB	
Cc1cc(=O)[nH]c(NN2[C@@H](Cl)C(=O)[C@H]2c2cccc([N+](=O)[O-])c2)n1	16958246	HEBFSZRHHAHSIC-DGCLKSJQSA-N	349.734	1.504	50	40	EDGB	
COc1ccccc1[C@@H]1N[C@H](C(=O)NN)Cc2c1[nH]c1ccccc21	36289483	VXLQVDARVWFUJG-RDJZCZTQSA-N	336.395	1.770	50	40	EDGB	biogenic
Cc1cccc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)c1	65512954	CUADPVUWFSOTPN-UHFFFAOYSA-N	339.399	1.463	50	40	EDGB	
Cc1cc(N2CCOCC2)ccc1/C=C(/C#N)C(=O)N1CCOCC1	409100438	NIECAQDZWFIDQR-LGMDPLHJSA-N	341.411	1.597	50	40	EDGB	
CC(C)NC(=O)CC(=O)N/N=C/c1cccc(Br)c1	3057818	MEKGCMXEAJKOTM-OVCLIPMQSA-N	326.194	1.814	50	40	EDGB	
COc1cc(C(=O)NNC(=O)c2ccncc2)ccc1OC(F)F	5173791	GQENKXVMNJETGW-UHFFFAOYSA-N	337.282	1.766	50	40	EDGB	
CC(C)CC(=O)NNC(=O)[C@@H](C)Sc1nnc(NC2CC2)s1	69651987	MEJSSKTUGJGWHE-MRVPVSSYSA-N	343.478	1.787	50	40	EDGB	
CC(=O)Nc1ccc(N(C(=O)CCl)[C@@H]2CCS(=O)(=O)C2)cc1	40177614	XCFKGXZUYXLOTG-CYBMUJFWSA-N	344.820	1.404	50	40	EDGB	
CN1C(=O)CCc2cc(NS(=O)(=O)CBr)ccc21	8962428	LESGVWNBDFCFAZ-UHFFFAOYSA-N	333.207	1.690	50	40	EDGB	
COc1cccc(C(=O)NNC(=O)C(=O)Nc2ccccc2OC)c1	4838883	LHSWKGUKMUNKGY-UHFFFAOYSA-N	343.339	1.104	50	40	EDGB	
O=C(Cc1cccc(F)c1)NNC(=O)[C@H]1COc2ccccc2O1	12944771	ZOUPNDNNOPWFQX-OAHLLOKOSA-N	330.315	1.356	50	40	EDGB	
COCCN1C(=O)CS/C1=C(/C#N)C(=O)NCCc1ccccc1	3222788	ADKOIRXIHVHXIL-VKAVYKQESA-N	345.424	1.302	50	40	EDGB	
O=C(C[C@@H]1C=CCC1)NNC(=O)c1csc(N2CCOCC2)n1	12853039	NATFHJLMDVOYOE-LLVKDONJSA-N	336.417	1.097	50	40	EDGB	
NS(=O)(=O)c1ccc(CNC(=O)[C@H](Cl)c2ccccc2)cc1	13945902	RMYDCKXDWKTCRI-CQSZACIVSA-N	338.816	1.930	50	40	EDGB	
Cc1cccc(C)c1N(CC(=O)N/N=C/c1ccco1)S(C)(=O)=O	4502924	QZZIYMRLUBPNHC-LICLKQGHSA-N	349.412	1.813	50	40	EDGB	
O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc2c(c1)OCO2	129966	UITCRYNOCYQUDY-CAOOACKPSA-N	343.295	1.853	50	40	EDGB	
N/C(=N/NC(=O)c1cccc(F)c1)c1cc2ccccc2oc1=O	13686192	QVCGONQNRNSBTG-UHFFFAOYSA-N	325.299	1.982	50	40	EDGB	
Cc1cc(C(F)(F)F)nn1CCC(=O)NNC(=S)NC1CC1	2788297	SVIXLBVHVZFNAG-UHFFFAOYSA-N	335.355	1.258	50	40	EDGB	
CCc1sc(C(=O)NNC(=O)CN2C[C@H](C)O[C@H](C)C2)cc1C	48287838	RPRFKICROCXOQV-TXEJJXNPSA-N	339.461	1.489	50	40	EDGB	
CCOC1=C(C(C)=O)[C@@]2(C(=O)Nc3ccccc32)C(C#N)=C(N)O1	49947122	NVQXTUKUJPXNKV-KRWDZBQOSA-N	325.324	1.438	50	40	EDGB	
O=C(COC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)NNC(=O)c1cccs1	102338175	CNKKFISUVMLQTG-SDDRHHMPSA-N	336.413	1.879	50	40	EDGB	
COc1cccc(C(=O)NNC(=O)c2cc(OC)cc(OC)c2)c1	289977	SLUILIHPSHBUMV-UHFFFAOYSA-N	330.340	1.787	50	40	EDGB	
CC(=O)OC[C@H](Br)[C@H](Br)COC(C)=O	1687087	BTDBVZGNTYYMQZ-OCAPTIKFSA-N	331.988	1.640	50	40	EDGB	
C=CCN1C(=O)/C(=C\NNC(=O)CCCCCC)C(O)=NC1=S	16637841	LSPPHWILPCGCPV-KHPPLWFESA-N	338.433	1.731	50	40	EDGB	
O=S1(=O)C[C@H](Cl)[C@H](NC(=S)OC[C@@H](Cl)CCl)C1	216182822	BHUPKUYAZIKGBS-LYFYHCNISA-N	340.681	1.128	50	40	EDGB	
Cn1/c(=N\NC(=O)NCCc2cccnc2)sc2ccccc21	585145820	UQSIPMBKZZIERJ-CAPFRKAQSA-N	327.413	1.992	50	40	EDGB	
O=C(NC(=S)NNC(=O)c1ccccc1Cl)c1cccnc1	2234202	BBJBBZPHZVFROW-UHFFFAOYSA-N	334.788	1.684	50	40	EDGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)NC(C)(C)C)cc1OC	59516001	SXCXNJWLOUIAPH-WOJGMQOQSA-N	333.388	1.625	50	40	EDGB	
COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)Cn2nc(C)cc2C)c1O	61869845	FICBGNWETGAXGC-FRKPEAEDSA-N	347.331	1.273	50	40	EDGB	
CCc1cc(C(=O)NNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)cs1	102210920	GYZCOMSSBIXYIP-NGERZBJRSA-N	336.413	1.818	50	40	EDGB	
COc1ccc(CC(=O)NNC(=O)c2ccccc2OC)cc1OC	290014	ZXQJNUIWWBENSR-UHFFFAOYSA-N	344.367	1.716	50	40	EDGB	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)N(C)C)cc1OC	59334251	QPGJXSGXIMCVBV-JYRVWZFOSA-N	332.356	1.632	50	40	EDGB	
C/C(=N/NC(=O)CC#N)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C	25759375	AADQHFXXJUNUQL-SXGWCWSVSA-N	327.304	1.238	50	40	EDGB	
CCN(CC)[C@H]1S[C@H]2CS(=O)(=O)[C@@H](Br)[C@@H]2S1	28615237	VMYACRIMMOHSLT-KDXUFGMBSA-N	346.337	1.978	50	40	EDGB	
O=C(COC(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)c1ccccc1	3256860	DJJLNBUCPLHKPB-UHFFFAOYSA-N	343.295	1.213	50	40	EDGB	
O=C(Cc1ccccc1Cl)NNC(=O)[C@@H]1COc2ccccc2O1	12846975	GPOYYQAYJHDIIK-HNNXBMFYSA-N	346.770	1.870	50	40	EDGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccncc2)S(C)(=O)=O)cc1	20207880	SUYOSUHOVVRCJL-WOJGMQOQSA-N	346.412	1.306	50	40	EDGB	
O=C(CCl)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1	13689496	ZKYCMLQDQOHVIC-JMJAKMSKSA-N	344.845	1.527	50	40	EDGB	
CC(C)N1CCC[C@@H](C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1	1616038808	RHRBUDKWWNKLFA-CYBMUJFWSA-N	334.376	1.476	50	40	EDGB	
C[C@]1(C(=O)NNC(=O)c2ccc3c(c2)OCO3)CC1(Cl)Cl	33028653	KRFDPSVJRYXXGJ-GFCCVEGCSA-N	331.155	1.760	50	40	EDGB	
CCn1c(=O)c2ccccc2[nH]/c1=N\NC(=O)[C@H]1C[C@H]2CC[C@H]1C2	107477640	XLVJCZKFFPCKKD-OBJOEFQTSA-N	326.400	1.718	50	40	EDGB	
O=C(CCc1ccc(O)c(O)c1)N/N=C/c1ccc2c(c1)OCO2	2758863	XZSAOYKGXIXKNQ-GIJQJNRQSA-N	328.324	1.909	50	40	EDGB	
COc1ccc(C(=O)NNC(=O)CCC(=O)NCc2ccco2)cc1	4700500	XJRGZBIOFAIFNI-UHFFFAOYSA-N	345.355	1.146	50	40	EDGB	
Cc1cc(C)n2ncc(C(=O)NNC(=O)Cc3ccccc3F)c2n1	66839844	PYCPCFFWMLZFQM-UHFFFAOYSA-N	341.346	1.489	50	40	EDGB	
COC(=O)NNS(=O)(=O)c1c(C(=O)OC)sc2ccccc12	71890148	WHDYTZCSGYYESK-UHFFFAOYSA-N	344.370	1.237	50	40	EDGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccncc1	408910040	VUNHJLRAXVFFOP-UOEVCUDDSA-N	340.383	1.889	50	40	EDGB	
O=C(NNC(=O)C(F)(F)F)c1ccc(NC(=O)C(F)(F)F)cc1	59421976	XPKYRIDYGSPBDV-UHFFFAOYSA-N	343.183	1.511	50	40	EDGB	
COc1ccc(N(C(=O)CCl)[C@H]2CCS(=O)(=O)C2)c(OC)c1	40177569	MUNWXPBMJIRWGZ-JTQLQIEISA-N	347.820	1.463	50	40	EDGB	
O=C(CCC(=O)N/N=C1\C[C@@H]2CC=C[C@@H]12)N/N=C1\C[C@@H]2CC=C[C@@H]12	225696978	FPNBGHWYIAPUGB-GZWGXZCGSA-N	326.400	1.903	50	40	EDGB	
CCc1[nH]c(C(=O)NNC(=O)c2ccccn2)c(C)c1C(=O)OC	14199927	QQRZKCSHWADWHV-UHFFFAOYSA-N	330.344	1.142	50	40	EDGB	
CCOC(=O)NNC(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F	67286949	LWDGXJUCRFCAAB-SNVBAGLBSA-N	341.311	1.369	50	40	EDGB	
CC(=O)NNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	23199103	AJUOBAOEFVZGLJ-UHFFFAOYSA-N	337.279	1.873	50	40	EDGB	
CCOc1ccc(N(C(=O)CCl)[C@@H]2CCS(=O)(=O)C2)cc1	40177594	JZZWXLKDOCJFDM-GFCCVEGCSA-N	331.821	1.844	50	40	EDGB	
N#C/C(=C/c1ccc(NC(=O)COCC(F)(F)F)cc1)C(N)=O	98054945	VWNCPZQEYYCAEL-YHYXMXQVSA-N	327.262	1.596	50	40	EDGB	
CC(=O)Nc1nnc(CC(=O)N/N=C/c2c[nH]c3ccccc23)s1	191555	YZNYIDOTSWDJIO-CAOOACKPSA-N	342.384	1.671	50	40	EDGB	
Cc1cc(C(=O)NNC(=O)c2cc(Cl)nc(Cl)c2)nn1C	165987	JFHDKBLDTXSIHI-UHFFFAOYSA-N	328.159	1.505	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)NC2CCN(C(=O)C3CC3)CC2)cc1	32809112	MNDPBDMMZMCNLO-UHFFFAOYSA-N	344.415	1.340	50	40	EDGB	
Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCCCCl	3037929	AQCINLAPDDDKIE-UHFFFAOYSA-N	335.589	1.205	50	40	EDGB	
O=C(CN1CCCCC1)NNC(=O)c1cccc(Br)c1	4866217	CNFDNZNQIKNQLC-UHFFFAOYSA-N	340.221	1.696	50	40	EDGB	
COc1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccccc2)cc1	2132139	OQPBLDNRNAURTE-UHFFFAOYSA-N	341.367	1.875	50	40	EDGB	
COCCNC(=O)CC(=O)N/N=C/c1ccccc1C(F)(F)F	59434404	RXVPTXBCINOWDH-DJKKODMXSA-N	331.294	1.308	50	40	EDGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)ccc1O	6670448	XDBFIQGXEPACKH-CQSZACIVSA-N	342.307	1.064	50	40	EDGB	
COc1cc(/C=C(\C#N)C(N)=S)ccc1OCCN1CCOCC1	19853072	HZZWZWUZHVJRAV-GXDHUFHOSA-N	347.440	1.599	50	40	EDGB	
COc1cccc(NC(=O)NNC(=O)CCc2ccc(O)c(O)c2)c1	15934246	BCKNFQRRKXTYQA-UHFFFAOYSA-N	345.355	1.892	50	40	EDGB	
CNc1snc(C)c1C(=O)OCC(=O)NNC(=O)c1ccccc1	16552003	XPRZVUNYGRTKHR-UHFFFAOYSA-N	348.384	1.111	50	40	EDGB	
O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CS(=O)(=O)C[C@@H]1Cl	11027301	ZCTYWJMBMSNIBA-UWVGGRQHSA-N	333.753	1.121	50	40	EDGB	
N#Cc1ccccc1S(=O)(=O)NNC(=O)c1ccccc1Cl	12680016	BTFZNSCILGNTST-UHFFFAOYSA-N	335.772	1.835	50	40	EDGB	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1	3350153	MOPYQTAYOSIIGM-KGLIPLIRSA-N	334.372	1.412	50	40	EDGB	
O=C(CSc1ccc(Cl)cc1)NNC(=O)c1ccc(=O)[nH]c1	12802221	NNGXECKVOKRYKN-UHFFFAOYSA-N	337.788	1.582	50	40	EDGB	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1Sc1ncccn1)C(N)=O	409101833	ZBWDFNMXGQCGOH-UXBLZVDNSA-N	327.325	1.928	50	40	EDGB	
O=C1NC(=O)C(=Cc2ccc(OCCBr)cc2)C(=O)N1	4557702	SGPALSKVVMRLSR-UHFFFAOYSA-N	339.145	1.210	50	40	EDGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1)c1cc([N+](=O)[O-])ccc1O	408919322	WKMZKIWNXFCTHG-NVNXTCNLSA-N	330.256	1.973	50	40	EDGB	
N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)NC(N)=O	409251395	PXORWBCKTDAPHR-YFHOEESVSA-N	326.268	1.957	50	40	EDGB	
COc1ccc(-c2nc(C)cc(N3CCC[C@H](C(=O)NN)C3)n2)cc1	260573407	YMRBFBSHGJTHJB-AWEZNQCLSA-N	341.415	1.667	50	40	EDGB	
CN(C)c1ccc(/C=N/NC(=O)CNC(=O)c2cccc(F)c2)cc1	1880817	RWHCOOQKYZZQMI-SRZZPIQSSA-N	342.374	1.772	50	40	EDGB	
NNC(=O)CC(=O)N(C(=O)c1ccccc1)c1ccc(Cl)cc1	1639401	OOMOLFXKPKJVOG-UHFFFAOYSA-N	331.759	1.893	50	40	EDGB	
COc1ccc(/C=C/C(=O)NCC(=O)N/N=C/c2cccnc2)cc1	2280128	LQDIVMODDNYKGI-XZHCKZKCSA-N	338.367	1.370	50	40	EDGB	
COc1ccc([C@@H]2Nc3ncnn3C(N)=C2C#N)c(OC)c1OC	18199193	FLTNSIMREDORGM-NSHDSACASA-N	328.332	1.122	50	40	EDGB	
Cc1nn(C)c(F)c1/C=N/NC(=O)c1cc(C(F)(F)F)nn1C	252489218	JLAMHRMJOXMCIQ-YAXRCOADSA-N	332.261	1.384	50	40	EDGB	
Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cc[n+]([O-])cc1	3168360	YCRXJHVZKGNFAD-XDHOZWIPSA-N	335.367	1.886	50	40	EDGB	
C/C(=N/NC(=O)C[N+](C)(C)C)[C@H](CN(C)C)C(=O)Nc1ccccc1	5503126	RRZSYXWJRYGDBN-IEOAWGNMSA-O	348.471	1.001	50	40	EDGB	
CCS(=O)(=O)CC(=O)NN=C(c1ccccc1)c1ccccc1	52932634	FMIMZAJRKKQISQ-UHFFFAOYSA-N	330.409	1.990	50	40	EDGB	
COc1cc(/C=N/NC(=O)CC2(C)OCCO2)cc(Cl)c1O	1098659	ABLLRGPNHKHOMI-LZYBPNLTSA-N	328.752	1.657	50	40	EDGB	
C/C(=N\NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(O)cc1O	100062851	OTMFTOWYFVSKSA-LZYBPNLTSA-N	331.284	1.866	50	40	EDGB	
COc1ccc(CC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1	3370659	JGUZOYLGIMTSFZ-UHFFFAOYSA-N	342.351	1.242	50	40	EDGB	
O=C(C[C@H]1C=CCC1)NNC(=O)c1csc(N2CCOCC2)n1	12853035	NATFHJLMDVOYOE-NSHDSACASA-N	336.417	1.097	50	40	EDGB	
CS(=O)(=O)[C@@H](I)[C@H](O)c1ccc(F)cc1	96519189	VCPWPOZXNDEZEM-RKDXNWHRSA-N	344.145	1.665	50	40	EDGB	
O=C(NNC(=O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)O)c1ccc(Cl)cc1	13138927	ZHLDZBFPGAIYNY-JULQROHOSA-N	336.775	1.848	50	40	EDGB	
O=C(NNC(=O)[C@H]1CCCN(c2ncccn2)C1)c1ccc(F)cc1	1357813	OUYFRUNNWGZMTD-ZDUSSCGKSA-N	343.362	1.293	50	40	EDGB	
CCC[C@H](Br)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	3212484	FOXZLTNTXSXKGV-JTQLQIEISA-N	344.165	1.919	50	40	EDGB	
C/C(=N\NC(=O)[C@H]1CCCN(C(=O)C(F)(F)F)C1)c1cccnc1	12346445	FFLKIFLRLVEVHS-QDBSGRMGSA-N	342.321	1.723	50	40	EDGB	
C/C(CC(=O)C(F)(F)F)=N\NC(=O)CCN1C[C@@H](C)O[C@H](C)C1	6550603	NIXMRLUWHMCMRP-LPHLQJALSA-N	337.342	1.499	50	40	EDGB	
COc1cccc(C(=O)NNC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)O)c1	4651851	DUMBLRUBVNUKHN-HUUCEWRRSA-N	346.383	1.903	50	40	EDGB	
Cc1cc2nc(CC(=O)N/N=C/c3ccncc3)c(=O)[nH]c2cc1C	16102227	SAXKEZBVXKXWBZ-KEBDBYFISA-N	335.367	1.628	50	40	EDGB	
CCOC(=O)NNC(=O)Cc1cc(Cl)c2c(c1)OCCCO2	58356824	MBRMQWHUXRIYAN-UHFFFAOYSA-N	328.752	1.821	50	40	EDGB	
Cc1ccc(C(=O)NN[C@@H]2CC(=O)N(c3cccc(F)c3)C2=O)cc1	101452161	NWNUUARARJGUAF-OAHLLOKOSA-N	341.342	1.701	50	40	EDGB	
COc1cc(/C=N/NC(=O)c2ccncc2)ccc1O[C@@H](C)C(=O)O	409011203	MTUYTUFCTRHNLJ-VSMYLPJWSA-N	343.339	1.706	50	40	EDGB	
O=C(Cn1nc2ccccc2n1)N/N=C/c1cc([N+](=O)[O-])ccc1O	35577872	LAHSQHUSUVZVHG-LZYBPNLTSA-N	340.299	1.195	50	40	EDGB	
CCC[C@@H](C)NC(=O)NNC(=O)c1cc(OC)c(OC)c(OC)c1	40498097	IIZDRDHNAYLWCN-SNVBAGLBSA-N	339.392	1.845	50	40	EDGB	
CCC(=O)NNC(=S)NC(=O)c1ccc(Br)cc1	2064531	CNECAGYEHDFXCQ-UHFFFAOYSA-N	330.207	1.495	50	40	EDGB	
CC(=O)Oc1cccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1	9553489	ZTVVWTZBVVHOEB-UHFFFAOYSA-N	343.295	1.595	50	40	EDGB	
COC(=O)c1ccc(CNC(=O)NNC(=O)c2ccccc2)cc1	27337103	XBTCTPRFPJFYLB-UHFFFAOYSA-N	327.340	1.617	50	40	EDGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccco2)S(C)(=O)=O)c(C)c1	408786693	UTBQYZAALHYHEC-LICLKQGHSA-N	349.412	1.813	50	40	EDGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCC(=O)O)c(OC)c1	408808470	JBJZLJDIJQCEED-DELQEKLWSA-N	332.356	1.980	50	40	EDGB	
C[C@]1(SS[C@@]2(C)CCS(=O)(=O)C2)CCS(=O)(=O)C1	12175744	ZAJGZTALSIIAKL-UWVGGRQHSA-N	330.518	1.522	50	40	EDGB	
COc1ccc(NC(=O)N/C=C2\C(=O)NC(=O)C(C#N)=C2C)cc1	6382085	ORYQWJUDUMUNBS-JYRVWZFOSA-N	326.312	1.197	50	40	EDGB	
CN1C(=O)/C(=N/NC(=O)[C@H]2COc3ccccc3O2)c2ccccc21	100527305	VLMYXNFAXAIEER-ZBQKJFDRSA-N	337.335	1.323	50	40	EDGB	
NNC(=O)CCCCCNC(=O)c1ccccc1Br	2676393	COQFUXVNZSZSFM-UHFFFAOYSA-N	328.210	1.729	50	40	EDGB	
Cc1ccc(S(=O)(=O)N/N=C2/C(=O)[C@H]3CC[C@H]2[C@H]3Cl)cc1	102890444	SVYVWQVKXFYNOJ-BOWRNPKSSA-N	326.805	1.846	50	40	EDGB	
COc1cc(/C=N\NC(=O)[C@H](N)Cc2ccc(O)cc2)ccc1O	104218877	CHHJFLAURAZPIA-SAGYFLTASA-N	329.356	1.127	50	40	EDGB	
Cc1ccc(-c2nnc(CCC(=O)NNC(=O)[C@H]3C[C@@H]3C)o2)cc1	8852410	BBHFAEFMSMHDOU-AAEUAGOBSA-N	328.372	1.781	50	40	EDGB	
COc1ccc(/C=N\NC(=O)Cc2cccn2C)c(OC)c1OC	19834039	DCOBUNDEYUDBAE-WQRHYEAKSA-N	331.372	1.744	50	40	EDGB	
CN(CC(=O)N/N=C/c1cccs1)S(=O)(=O)c1ccccc1	6545106	IQOTXMMURJQFEQ-XNTDXEJSSA-N	337.426	1.519	50	40	EDGB	
COc1ccc(/C=N\NC(=O)CC[C@@H]2C(=O)NN=C2C)c(OC)c1	100334353	IZUPUFJGTVBOJL-OLWAXZHHSA-N	332.360	1.056	50	40	EDGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OC)cc1	7784634	WJMCUDRHCSLWGB-UDWIEESQSA-N	341.367	1.470	50	40	EDGB	
O=S1(=O)C[C@H](Cl)[C@H](NC(=S)OC(CCl)CCl)C1	59568405	KPERORHPYMECFR-NKWVEPMBSA-N	340.681	1.128	50	40	EDGB	
Cc1cc(NC(=O)C(=O)NNC(=O)C(C)(C)C)n(-c2ccccc2)n1	95985759	HRTAHVPWEVQLEH-UHFFFAOYSA-N	343.387	1.313	50	40	EDGB	
Cc1ccsc1/C=N/NC(=O)Cn1cnc2ccccc2c1=O	2747792	DSJCRJRVHCILKT-QGMBQPNBSA-N	326.381	1.917	50	40	EDGB	
CC(C)[C@H]1CC[C@@H](C)C/C1=N\NC(=O)N[C@@H]1CCS(=O)(=O)C1	63420998	ORTSAESZUAHAPA-BCHYJAEDSA-N	329.466	1.921	50	40	EDGB	
Cn1cc([C@@H]2C[C@@H]2C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cn1	70012098	FKNCYDOLDVXLHT-INTQVKCFSA-N	342.443	1.887	50	40	EDGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(O)c([N+](=O)[O-])c1	408974300	DWRXKFKQOGUMIS-CAOOACKPSA-N	343.295	1.722	50	40	EDGB	
COc1cc([N+](=O)[O-])cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c1O	57292042	UBQCQBMSKGSOND-KKNAONHISA-N	347.327	1.511	50	40	EDGB	
C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1ccco1	12909916	PVHHPTCBAUMWIT-NSHDSACASA-N	331.328	1.356	50	40	EDGB	
O=C(CC1CCCC1)NNC(=O)c1csc(N2CCOCC2)n1	9366131	RCPRFPGVMXPLQV-UHFFFAOYSA-N	338.433	1.321	50	40	EDGB	
C[C@@H](C(=O)NNc1ncccn1)N1CCN(c2ccc(F)cc2)CC1	69618113	XUUBCPMGRFCLLN-ZDUSSCGKSA-N	344.394	1.270	50	40	EDGB	
Cc1ccc(/C=C/S(=O)(=O)NNC(=O)c2cccc(O)c2)cc1	78624093	UYRQBFKUCUZTHP-MDZDMXLPSA-N	332.381	1.936	50	40	EDGB	
O=C(CSc1ncnc2ccsc12)NNC(=O)c1ccco1	8329094	ULNVLAYHHCRDQU-UHFFFAOYSA-N	334.382	1.838	50	40	EDGB	
Cc1nc(SCC(=O)NNC(=O)c2ccccc2)nc(C)c1C	8724157	HAZJFKIUSGOXGP-UHFFFAOYSA-N	330.413	1.955	50	40	EDGB	
N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccc2c(c1)OCO2	95691634	RMKNPBMMFZHUSM-CQSZACIVSA-N	340.291	1.079	50	40	EDGB	
C=CCN1C(=O)/C(=C\C(=O)OC)S/C1=N/NC(=O)c1ccccc1	33533420	NQNZJAWNVOSNGV-OFUYBPKBSA-N	345.380	1.506	50	40	EDGB	
CC(C)Oc1ccc(/C=N/NC(=O)C(=O)NCc2cccnc2)cc1	3061919	JPUIZFQKKDBRAP-CIAFOILYSA-N	340.383	1.635	50	40	EDGB	
CCc1n[nH]c2c1[C@]1(C(=O)Nc3ccc(F)cc31)C(C#N)=C(N)O2	5610058	UEFUGDDANOUHBN-MRXNPFEDSA-N	325.303	1.436	50	40	EDGB	
O=C(NC[C@@H]1COCCO1)NNc1ccc(OC(F)(F)F)cc1	57081841	LXOWTLGPCRPOHZ-LLVKDONJSA-N	335.282	1.627	50	40	EDGB	
COc1ccc2ccccc2c1/C=N/NC(=O)[C@H]1CCCNC1=O	59461563	DUMCKKHDQNZRCD-HXJASHHUSA-N	325.368	1.825	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccccc1-c1ccno1)c1ccccn1	95468042	CVVJFYTZRSKANO-UHFFFAOYSA-N	344.352	1.360	50	40	EDGB	
Cc1ccccc1C(=O)NNS(=O)(=O)c1cccc2nsnc12	19108599	KPXNQSYLRXAPII-UHFFFAOYSA-N	348.409	1.623	50	40	EDGB	
CCOC(=O)[C@@]1(C#N)[C@@H](c2ccccc2)[C@@]1(C#N)C(N)=C(C#N)C#N	66088256	VNPUEYKXIVLMAX-JCGIZDLHSA-N	331.335	1.627	50	40	EDGB	
Cc1nn(CCC(=O)N/N=C/c2ccc(F)s2)cc1[N+](=O)[O-]	252494242	NPFXAHYCFMLPLG-MKMNVTDBSA-N	325.325	1.841	50	40	EDGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)CSc1ncn[nH]1	5736780	TUNOHTWWWYUGDR-UHFFFAOYSA-N	341.780	1.020	50	40	EDGB	
NNC(=O)C12C[C@H]3C[C@H](C1)CC(n1nnc(-c4ccccc4)n1)(C3)C2	100772198	VYAWWKGMLLNKPT-LGBHXNNWSA-N	338.415	1.626	50	40	EDGB	
Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccc(O)cc2)cc1	2690786	DPLFFEBGNYIXKD-UHFFFAOYSA-N	329.381	1.650	50	40	EDGB	
Cc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)NN)s2)cc1	5684169	QIEBMORFYOBPFY-UHFFFAOYSA-N	326.403	1.164	50	40	EDGB	
COc1cc(/C=C(/C#N)C(N)=S)ccc1OCCN1CCOCC1	19853074	HZZWZWUZHVJRAV-UVTDQMKNSA-N	347.440	1.599	50	40	EDGB	
CCOC(=O)C1=C(C(=O)OCC)[C@H](c2ccccc2)C(C#N)=C(N)O1	4843997	ZVCWKJRMRZXPFL-CYBMUJFWSA-N	342.351	1.875	50	40	EDGB	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2ccc(=O)[nH]c2)c1C	7138778	XZECYBFZIWLMOB-GFCCVEGCSA-N	329.356	1.220	50	40	EDGB	
O=C(Cc1noc2ccccc12)NNC(=O)c1ccc2c(c1)OCO2	8141426	KKYIQZFLNNQYMX-UHFFFAOYSA-N	339.307	1.560	50	40	EDGB	
NC(=O)N/N=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12	408541352	GAYXBXODYFMWCI-CNHKJKLMSA-N	326.312	1.983	50	40	EDGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\c1ccco1	13122589	RLIKEYUWGBTXJO-HKMIMPICSA-N	346.364	1.059	50	40	EDGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)N(C)c1ccccc12	89388	OPWIBGZWZQFLJU-GOSISDBHSA-N	339.351	1.462	50	40	EDGB	
COC(=O)Cc1[nH]nc2c1[C@@H](c1ccccc1F)C(C#N)=C(N)O2	4453366	UEKQRDZFULJLCJ-ZDUSSCGKSA-N	328.303	1.482	50	40	EDGB	
Cc1ccccc1N1C[C@@H](C(=O)NNC(=O)c2ccccc2)CC1=O	7928164	YKQLUHCFNPXQMB-HNNXBMFYSA-N	337.379	1.809	50	40	EDGB	
CN1CCN(C(=O)c2ccccc2NC(=O)C(Cl)Cl)CC1	60017045	CMZDMDSUADJDDD-UHFFFAOYSA-N	330.215	1.816	50	40	EDGB	
CC(C)C(=O)N/N=C1\C(=O)N(C2CSC2)c2c(F)cc(F)cc21	223750148	UDFLSJDXBOZFDM-PDGQHHTCSA-N	339.367	1.903	50	40	EDGB	
CCOCCCNC(=O)/C(C#N)=C\c1cc(OC)c(O)c([N+](=O)[O-])c1	33623901	BPTJLCKGLOWYRQ-GHXNOFRVSA-N	349.343	1.759	50	40	EDGB	
CC(=O)N[C@@H](C(=O)NNc1c(F)c(F)c(F)c(F)c1F)C(C)C	8981357	FOWBJDQTJAUNDK-LLVKDONJSA-N	339.264	1.986	50	40	EDGB	
N#CC(C#N)=C(N)[C@]1(C#N)[C@@H](c2ccccc2Cl)[C@@]1(C#N)C(N)=O	230288980	HDZWJHMOVMGVLJ-KCXAZCMYSA-N	336.742	1.202	50	40	EDGB	
O=C(C=C(C1CC1)C1CC1)NNC(=O)[C@@H]1COc2ccccc2O1	54871295	AQBPCMWVJHDFMT-INIZCTEOSA-N	328.368	1.720	50	40	EDGB	
C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1c(O)cc(C)oc1=O	18189883	MGWLOALDSITMOS-CXUHLZMHSA-N	331.284	1.716	50	40	EDGB	
Cc1cccc(OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1	584351	JFJQBGYGZCKYFC-UHFFFAOYSA-N	329.312	1.743	50	40	EDGB	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cnn(C)c2C)c1C	11509989	GNHUGLAWQJCUGD-CYBMUJFWSA-N	330.388	1.574	50	40	EDGB	
CNC(=O)/C(C#N)=C/c1ccc(OCC(=O)NCc2ccco2)cc1	408795610	CMQLXSMTXIEBBR-NTEUORMPSA-N	339.351	1.628	50	40	EDGB	
N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)NC[C@@H]1CCCO1	408734713	IRNFZGYXSGZBEQ-QNCMIEPLSA-N	345.311	1.526	50	40	EDGB	
CC(C)(C)OC(=O)NNC(=O)CCc1nc2ccccc2c(=O)[nH]1	17398184	YGNBVYNEAOKTMS-UHFFFAOYSA-N	332.360	1.412	50	40	EDGB	
NNC(=O)c1cccc(S(=O)(=O)NC2CCCCCCC2)c1	225502477	WOKJJVUMNPHKJV-UHFFFAOYSA-N	325.434	1.681	50	40	EDGB	
COC(=O)Cc1[nH]nc2c1[C@H](c1ccccc1Cl)C(C#N)=C(N)O2	4453356	CSTNGQYEIQVBKG-CYBMUJFWSA-N	344.758	1.997	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)O)s1	6846688	FMGGDYRUMRBWMI-DNIRFERGSA-N	334.397	1.731	50	40	EDGB	
CCOC(=O)NNC(=O)[C@@H](CCSC)NC(=O)c1ccccc1	21771186	FYZLWLNWACVPRV-GFCCVEGCSA-N	339.417	1.315	50	40	EDGB	
COc1ccc(C(=O)NN(C)C)cc1S(=O)(=O)NC1CCCC1	12697167	GCNWWXVUTBHJNF-UHFFFAOYSA-N	341.433	1.123	50	40	EDGB	
CCC(=O)N[C@@H](C(=O)NNC(=O)c1ccc(F)cc1)c1ccccc1	65501431	MZFCYRQTGMGBTR-MRXNPFEDSA-N	343.358	1.854	50	40	EDGB	
O=C(Cc1ccccc1)NNS(=O)(=O)c1ccc2c(c1)CCC2	8772392	ASIQFYJUYDPYHK-UHFFFAOYSA-N	330.409	1.728	50	40	EDGB	
CCOc1ccc(N([C@@H](C)C(=O)NN=C(C)C)S(C)(=O)=O)cc1	408905940	BFCIHMVPFJNTKY-LBPRGKRZSA-N	341.433	1.752	50	40	EDGB	
CS(=O)(=O)[C@H](I)[C@@H](O)c1ccccc1F	96519194	ADZCZSARIKPSEA-IUCAKERBSA-N	344.145	1.665	50	40	EDGB	
CS(=O)(=O)N1CCC(C(=O)N/N=C/c2ccc(F)s2)CC1	252489115	JFVIKQLXFFUIPB-RIYZIHGNSA-N	333.410	1.009	50	40	EDGB	
NC(=O)c1cc2ccccc2o/c1=N/NC(=O)c1cccc(F)c1	12719948	CEIAIQYJNYXIDN-HEHNFIMWSA-N	325.299	1.917	50	40	EDGB	
N#C/C(=C\c1c(F)cccc1Cl)C(=O)N[C@@H]1CCS(=O)(=O)C1	26966668	OVYGLDPWUMNMHD-OLKPEBQYSA-N	342.779	1.689	50	40	EDGB	
CCNS(=O)(=O)C[C@]1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2Br	103178814	CHHKYNYNFQLRRG-BSJXLVFVSA-N	338.267	1.695	50	40	EDGB	
CCOc1ncccc1C(=O)NNC(=O)[C@H]1COc2ccccc2O1	6310491	DDVBXLGUMGTJSU-CQSZACIVSA-N	343.339	1.081	50	40	EDGB	
N#C/C(=C\c1cc2cccc3c2n(c1=O)CCC3)C(=O)N1CCOCC1	36625748	AREBVDHLNISYAR-SFQUDFHCSA-N	349.390	1.713	50	40	EDGB	
O=C(NNC(=S)NC[C@@H]1CCCO1)c1cc(-c2ccccc2)n[nH]1	15430680	VBKGKYQBFJZFAA-LBPRGKRZSA-N	345.428	1.365	50	40	EDGB	
O=C(NNC(=O)c1cccs1)c1ccc(N2CCCC2=O)cc1	6602971	BSZRDDGXVFABHD-UHFFFAOYSA-N	329.381	1.950	50	40	EDGB	
O=[N+]([O-])c1ccc(NC(=S)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)cc1	12421696	ONRDULAKFFGHST-VHSXEESVSA-N	349.821	1.286	50	40	EDGB	
COCCCNC(=O)CC(=O)N/N=C/c1ccc(Cl)cc1Cl	59459637	TXBDEIVJYUPTSF-GIJQJNRQSA-N	346.214	1.986	50	40	EDGB	
COCCCNC(=O)C(=O)N/N=C/c1c(O)ccc2ccccc12	5720036	MXGCQVLMBFHREY-YBFXNURJSA-N	329.356	1.148	50	40	EDGB	
CC(=O)Nc1cccc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1	8728708	KEHCYYGXVUETTE-UHFFFAOYSA-N	341.323	1.449	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1	13006305	AZIQOMGJNXKMLO-WBMJQRKESA-N	333.413	1.210	50	40	EDGB	
O=C(CN1CCOCC1)N/N=C/c1ccc(Br)cc1	20248534	PPLKBYIQBFKCEO-OQLLNIDSSA-N	326.194	1.231	50	40	EDGB	
COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)cc(OC)c1OC	143867	RYZXOVRVNULZTO-MDWZMJQESA-N	332.356	1.478	50	40	EDGB	
COc1cccc(/C=C/C(=O)NNC(=O)c2ccncc2)c1OC	32975392	WCXUWMKXVYRPIP-VOTSOKGWSA-N	327.340	1.573	50	40	EDGB	
COc1ccc(/C=N/NC(=O)C[n+]2ccccc2)c(OC)c1OC	1822110	ZGTVGYQQRQHLEQ-WOJGMQOQSA-O	330.364	1.150	50	40	EDGB	
O=C(CCc1ccccc1)NNC(=O)[C@@H]1COc2ccccc2O1	12942863	ADZOSCIKYSBREF-INIZCTEOSA-N	326.352	1.607	50	40	EDGB	
CCc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1	8109818	FNGNMXYLAMSAEA-UHFFFAOYSA-N	348.380	1.601	50	40	EDGB	
C/C=C/Cn1c(=O)c2c(nc3n(CCCl)c(C)c(C)n23)n(C)c1=O	10104432	GLHLLGCVFVSYMN-AATRIKPKSA-N	349.822	1.581	50	40	EDGB	
Cc1cc(C(=O)NNC(=O)[C@H]2CCCC[C@@H]2C(=O)O)ccc1[N+](=O)[O-]	372933	BPMRHYNJSRZFHK-RYUDHWBXSA-N	349.343	1.555	50	40	EDGB	
CCCCC(=O)NN/C=C1/C(=O)N(Cc2ccco2)C(=O)N=C1O	4837151	APQGZXSXLUUMEN-DHZHZOJOSA-N	334.332	1.393	50	40	EDGB	
Cc1cc(=O)oc(C)c1C(=O)NNC(=O)[C@]1(C)C[C@@H]1Br	2297425	SPNAMQGBHNPYRL-ISVAXAHUSA-N	343.177	1.191	50	40	EDGB	
CCOc1ccccc1/C=N/NC(=O)C(=O)NCc1ccccn1	59435524	DBUWDAMGISZJHP-RGVLZGJSSA-N	326.356	1.247	50	40	EDGB	
CC(=O)OC[C@H]1[C@H]2C[C@@H]3[C@H](OC(=O)[C@@H]31)[C@H]2I	4114151	GKYCWSYKPXPGKN-SXRRFHHZSA-N	336.125	1.161	50	40	EDGB	
COc1ccc(/C=C/C(=O)NCC(=O)N/N=C(/C)c2ccco2)cc1	4808726	JJWFEPRKPTUNBS-WAYKPHQQSA-N	341.367	1.958	50	40	EDGB	
Cc1cc(C)n(CC(=O)NNC(=O)CCc2c[nH]c3ccccc23)n1	9514164	CMNLDAXNXIDYQH-UHFFFAOYSA-N	339.399	1.761	50	40	EDGB	
C/C(=N\NC(=O)Cn1nc(C)cc1C)[C@@H]1Cc2ccccc2C(=O)O1	54280971	QAADHUGGQUEHIB-HUCUOGIVSA-N	340.383	1.774	50	40	EDGB	
CCOc1ccc(/C=N/NC(=O)C(=O)NCc2ccccn2)cc1	59515407	OKAVKJDFAAILQE-RGVLZGJSSA-N	326.356	1.247	50	40	EDGB	
CCCCN1C(=O)/C(=C\NNC(=O)c2ccncc2)C(O)=NC1=S	38181435	GSOTUTHHIUFUPD-LUAWRHEFSA-N	347.400	1.084	50	40	EDGB	
CCCCCC(=O)NNC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1	2064463	WQIZNQLISNFRNE-UHFFFAOYSA-N	338.389	1.811	50	40	EDGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(O)ccc1[N+](=O)[O-]	33708949	PWFYBPZSEAPLCS-SXGWCWSVSA-N	344.283	1.901	50	40	EDGB	
CCOc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)cc([N+](=O)[O-])c1O	36127287	QAPYNUJHTGWODY-VIZOYTHASA-N	333.304	1.495	50	40	EDGB	
O=C(NNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1ccccc1F	198483230	ISMKBUXTHWXWPN-LBPRGKRZSA-N	341.342	1.640	50	40	EDGB	
O=C(N[C@H]1COCO[C@@H]1c1ccccc1[N+](=O)[O-])C(Cl)Cl	1437096	RLUIKRNKQVLBIN-WCBMZHEXSA-N	335.143	1.929	50	40	EDGB	
C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)COc1cccc(C)c1C	25581691	PCHIFZMCQDLDIP-GZTJUZNOSA-N	346.347	1.374	50	40	EDGB	
CN(C)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)cc1	3310009	HZTNYKAZTQALEV-UHFFFAOYSA-N	341.367	1.371	50	40	EDGB	
O=C1N(CN2CCOCC2)c2ccccc2[C@]12OC[C@@H](CCl)O2	19831243	MRAGSXXFMHQZGC-MLGOLLRUSA-N	338.791	1.130	50	40	EDGB	
COc1ccc(CNC(=O)/C(C#N)=C/N2CCC(C(=O)O)CC2)cc1	30791180	QNTRNYWPFBGWJY-NTCAYCPXSA-N	343.383	1.515	50	40	EDGB	
CC1=C(C#N)[C@@](NC(=O)c2ccc(F)cc2)(C(F)(F)F)C(=O)N1	4200138	LCGVUHRRCDLMKD-ZDUSSCGKSA-N	327.237	1.784	50	40	EDGB	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2	102202569	AVKVTROIMBJUTG-GVARAGBVSA-N	348.786	1.553	50	40	EDGB	
O=C(C[C@H]1CCS(=O)(=O)C1)NNC(=O)c1ccc2ccccc2c1	10105015	BILQWMVOYVFVDJ-GFCCVEGCSA-N	346.408	1.426	50	40	EDGB	
COc1cccc(/C=N/NC(=O)CNC(=O)Cc2ccccc2)c1O	2276172	MKAIMFTUMICZPG-RGVLZGJSSA-N	341.367	1.210	50	40	EDGB	
Cc1nn(CCC(=O)N/N=C/c2c(C)nn(C)c2F)c(C)c1Cl	252497237	QCCXRJVMNMLSRB-REZTVBANSA-N	340.790	1.875	50	40	EDGB	
O=C(Nc1ccc2ncccc2c1)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl	575424028	JNIOKWGMMNYEJS-WCQYABFASA-N	339.804	1.761	50	40	EDGB	
COc1ccc([C@@H]2C(C#N)=C(N)NC(C(C#N)C#N)=C2C#N)cc1OC	101659607	WFKCLWDKPVMGCJ-INIZCTEOSA-N	346.350	1.526	50	40	EDGB	
COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c(OC)c1	4499497	GZCSTMRAQURESP-VXLYETTFSA-N	345.330	1.932	50	40	EDGB	
CCOc1ccc(/C=N\NC(=O)Nc2nonc2N)c(OCC)c1	33323749	NZJBGSXBIQGPQY-PXNMLYILSA-N	334.336	1.605	50	40	EDGB	
O=C1[C@H]2[C@H]3C[C@H]4[C@H]([C@H](Br)C(=O)[C@@H]24)[C@@H]3[C@H]1Br	195528820	ASRUXQHQIUKJHH-RLOTXXTNSA-N	334.007	1.793	50	40	EDGB	
C/C(=N\NC(=O)CCc1c(C)n[nH]c1O)c1ccc([N+](=O)[O-])cc1	229574	NUABHOCVBQUCRU-CXUHLZMHSA-N	331.332	1.805	50	40	EDGB	
NC(=O)N1CCC[C@H]1C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	5858676	AFVGHWNZTWQLMN-RZYZSWTKSA-N	348.447	1.283	50	40	EDGB	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc2ccccc2n1	3376816	BCDGDEPNMNCKLT-KRWDZBQOSA-N	349.346	1.836	50	40	EDGB	
O=C1CN(C(=O)CNNC(=O)C2CCCCC2)c2ccccc2N1	3324953	UBPPLCJTNZYYNE-UHFFFAOYSA-N	330.388	1.173	50	40	EDGB	
COc1ccccc1/C=N\NC(=O)CNc1ccc2c(c1)OCO2	408868020	LCHHMJPKMTVNSP-OCKHKDLRSA-N	327.340	1.986	50	40	EDGB	
Cc1ccccc1OCC(=O)OCC(=O)NNC(=O)c1ccccc1	3434302	LVMFWQPUZLLVFG-UHFFFAOYSA-N	342.351	1.378	50	40	EDGB	
COCc1ccc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1	12782355	PUQLDCBPVAIESI-INIZCTEOSA-N	342.351	1.434	50	40	EDGB	
Cc1cc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)sc1C	12989902	ICTVTWXYORKAHQ-ZDUSSCGKSA-N	332.381	1.966	50	40	EDGB	
CCOc1ncccc1C(=O)NNC(=O)COc1ccc(F)cc1	14367839	RONRJWSJCOTWOS-UHFFFAOYSA-N	333.319	1.459	50	40	EDGB	
COc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OC(C)C	409000978	OGHMOPUBWRHJPR-WQRHYEAKSA-N	335.404	1.265	50	40	EDGB	
COc1cc(/C=N/NC(=O)Cn2nccc2C)cc(OC)c1OC	529828	OMDIGUWDAFEYCR-RQZCQDPDSA-N	332.360	1.368	50	40	EDGB	
O=C(O)[C@H](Br)CCCN1C(=O)c2ccccc2C1=O	2585542	FCGBPUWRRBLODE-SNVBAGLBSA-N	326.146	1.911	50	40	EDGB	
CN1CCOc2ccc(NS(=O)(=O)CBr)cc2C1=O	8961557	COYPPNYLIRFGEU-UHFFFAOYSA-N	349.206	1.245	50	40	EDGB	
COCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)cc1	2697909	QGMFGSJCDDRHLA-INIZCTEOSA-N	344.367	1.966	50	40	EDGB	
Cn1c(=O)n(C)c2cc(/C=C(\C#N)C(=O)NCc3cccnc3)ccc21	9273674	MJNYTNWDQNUHKL-OVCLIPMQSA-N	347.378	1.495	50	40	EDGB	
O=C1NC[C@H](c2ccccc2)[C@@H]1C(=O)N/N=C/c1ccc([N+](=O)[O-])o1	4504225	PLNNXJWQHDXJCI-UWUKGNIOSA-N	342.311	1.168	50	40	EDGB	
Cc1cnc(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cn1	6506773	ZPHSDDPZKXDGQJ-UHFFFAOYSA-N	335.323	1.784	50	40	EDGB	
COc1ccc(NC(=O)C(=O)NN/C(C)=C\C(=O)C(F)(F)F)cc1	4725121	AFIGXAYYBQTJNY-FPLPWBNLSA-N	345.277	1.290	50	40	EDGB	
NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1	5738701	PWHLKLWXYJZGBV-UHFFFAOYSA-N	326.381	1.468	50	40	EDGB	
Nc1ccc(C(=O)NN2C(=O)[C@H](Cl)[C@H]2c2ccccc2O)cc1	1633070	NADFAJBDQOIGEK-ZIAGYGMSSA-N	331.759	1.810	50	40	EDGB	
CC1=C(C(=O)OC(C)C)[C@@]2(C(=O)N1)C(C#N)=C(N)Oc1ccccc12	4517238	MDPBGQWOTKJCQJ-SFHVURJKSA-N	339.351	1.366	50	40	EDGB	
Cc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1	12921986	MCKWJLWQCFPEEU-UHFFFAOYSA-N	348.380	1.390	50	40	EDGB	
O=C(O)COc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1	4739983	CZMCAEUIXNYGGE-VHWUNXFSSA-N	328.324	1.334	50	40	EDGB	
O=C(NNC(=O)c1ccccc1O)c1cncc(Br)c1	17526804	SLEYBKMONGAHTN-UHFFFAOYSA-N	336.145	1.625	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2CC3)s1	102221434	FMGGDYRUMRBWMI-DJIHRAIXSA-N	334.397	1.731	50	40	EDGB	
CC1(C)[C@@]2(C)CC[C@@]1(C(=O)N1CCNCC1)[C@H](Br)C2=O	103697680	MMPGHLULZXDWJQ-ONERCXAPSA-N	343.265	1.577	50	40	EDGB	
CC[C@H](C)C(=O)NNC(=O)C1(c2ccc(OC)cc2)CCOCC1	71924146	NXEDODOKCXSAHK-ZDUSSCGKSA-N	334.416	1.937	50	40	EDGB	
CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)CN1CCCS1(=O)=O)C2	84668238	GZOCFEIMDNFHIU-ACSZSNSLSA-N	327.450	1.340	50	40	EDGB	
CS(=O)(=O)N(CC(=O)N/N=C\c1ccco1)C1CCCCC1	35339641	OSJGQLWNPXOBOY-GDNBJRDFSA-N	327.406	1.324	50	40	EDGB	
O=C(COC(=O)C1(c2ccccc2)CC1)NNC(=O)c1ccccc1	7397310	ZSWIOHKGIGWYTL-UHFFFAOYSA-N	338.363	1.723	50	40	EDGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(=O)NN)c2ccccc2)cc1	2285620	MCSOVTHUGWWPEI-OAHLLOKOSA-N	333.413	1.395	50	40	EDGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C\c1ccc(O)c(O)c1	35189648	JMRWPFMDTGEYMT-WSVATBPTSA-N	329.312	1.389	50	40	EDGB	
CC(C)c1c(C(=O)N/N=C/c2cccs2)nnn1-c1nonc1N	2397222	ZDILNFVDDHVGDF-GIDUJCDVSA-N	346.376	1.181	50	40	EDGB	
C/C(=N/NC(=O)C[N+](C)(C)C)[C@@H](CN(C)C)C(=O)Nc1ccccc1	5503125	RRZSYXWJRYGDBN-ZHTGWBIJSA-O	348.471	1.001	50	40	EDGB	
O=C(NCCc1cccs1)NNC(=O)c1ccc2c(c1)OCO2	40480304	AXYQNBXXQPGYMV-UHFFFAOYSA-N	333.369	1.664	50	40	EDGB	
COc1cc(C(=O)N/N=C(\C)Cn2nc([N+](=O)[O-])cc2C)ccc1O	482927	PDDCKEDFQSLYSS-CXUHLZMHSA-N	347.331	1.620	50	40	EDGB	
NNC(=O)c1nnc2sc(-c3cccc(Br)c3)nn12	57338961	XELRSKJIQXHUQM-UHFFFAOYSA-N	339.178	1.219	50	40	EDGB	
O=C(COc1cccc(F)c1)NNC(=O)c1ccc2c(c1)OCCO2	2627699	UQGJQCBKZVRLRQ-UHFFFAOYSA-N	346.314	1.437	50	40	EDGB	
NC(=O)c1ccc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)s1	58163276	NFRSPMYTFHGJJT-UHFFFAOYSA-N	347.440	1.824	50	40	EDGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC2CCCCC2)ccc1O	3058046	IOBZCHDPXOQIDR-WOJGMQOQSA-N	333.388	1.690	50	40	EDGB	
CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1ccc2c(c1)OCO2	78841	DZNVTPIBHGVHHB-ZDUSSCGKSA-N	338.747	1.825	50	40	EDGB	
CCc1n[nH]c2c1[C@@H](c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2	5053251	JUPMMNDREQFFNZ-ZDUSSCGKSA-N	342.355	1.913	50	40	EDGB	biogenic,in-vitro
Cc1occc1C(=O)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	67197043	HQAHWBADTNFJAH-MKMNVTDBSA-N	334.244	1.874	50	40	EDGB	
C[C@@H](NC(=O)C1CCCC1)C(=O)NNC(=O)c1c[nH]c2ccccc12	69770994	GWUSAVAIOAMKNO-LLVKDONJSA-N	342.399	1.624	50	40	EDGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(N)=O)c2C)cc1Cl	408934873	DBBXBBRBOIZZOA-UFWORHAWSA-N	348.790	1.692	50	40	EDGB	
Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NNC(=O)CC(C)C	585141404	UHDYNGKHYZJBEM-UHFFFAOYSA-N	349.796	1.912	50	40	EDGB	
COc1ccc(OC)c(/C=C/C(=O)NNC(=O)c2cccnc2)c1	146791	VICVASAWERKZOS-VMPITWQZSA-N	327.340	1.573	50	40	EDGB	
COCc1n[nH]c2c1[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2	537392	LSMWROAQFAXWEW-LBPRGKRZSA-N	327.300	1.682	50	40	EDGB	
COc1ccc(/C=N/NC(=O)c2cc[nH]n2)cc1CN1CCOCC1	20258534	PKCCVDBFIQMGMM-YBFXNURJSA-N	343.387	1.014	50	40	EDGB	
CCOc1cccc(C(=O)NC(=S)NNC(=O)c2ccncc2)c1	6596039	GBHFJJUYFBGYNF-UHFFFAOYSA-N	344.396	1.430	50	40	EDGB	
O=C(CBr)Nc1cccc(C(=O)N2CCOCC2)c1	35605291	YSOFWXRCKZNHLH-UHFFFAOYSA-N	327.178	1.492	50	40	EDGB	
CC(=O)N[C@H](CC(=O)NNC(=O)c1cccnc1)c1ccc(C)cc1	11241090	ADYRQJDJWDYLBZ-MRXNPFEDSA-N	340.383	1.419	50	40	EDGB	
O=C(CCNC(=O)c1ccco1)NNC(=O)c1cccc(Cl)c1	8513072	USUHFPFAFOLOPK-UHFFFAOYSA-N	335.747	1.514	50	40	EDGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1O)c1ccc([N+](=O)[O-])cc1	409103271	VRSIWRDOODZBMC-OVCLIPMQSA-N	330.256	1.973	50	40	EDGB	
O=C(O)C[C@@H](NCc1ccccc1)C(=O)NNC(=O)c1ccccc1	72334064	FHTHZXAWLBFCOH-OAHLLOKOSA-N	341.367	1.081	50	40	EDGB	
Cc1[nH]nc2c1[C@]1(C(=O)Nc3ccc(Cl)cc31)C(C#N)=C(N)N2	585145649	OUJRSNFFZXZEGJ-OAHLLOKOSA-N	326.747	1.729	50	40	EDGB	
O=C(N/N=C\c1ccc(O)c([N+](=O)[O-])c1)[C@H]1COc2ccccc2O1	31871102	SCGMXMMBFQDFJD-TUBDAXHVSA-N	343.295	1.591	50	40	EDGB	
COc1cccc2cc(C(=O)NNC(=O)c3cccnc3)c(=O)oc12	415545	QQSQXKRICQIRPP-UHFFFAOYSA-N	339.307	1.271	50	40	EDGB	
BrCCO[C@@H]1OCCO[C@@H]1OCCBr	3178236	OFJNZCVVDQGMDN-OCAPTIKFSA-N	334.004	1.508	50	40	EDGB	
O=C(C[C@@H]1CCS(=O)(=O)C1)NNC(=O)c1cc2ccccc2o1	7819016	QDLKXELMFBOIEJ-JTQLQIEISA-N	336.369	1.019	50	40	EDGB	
O=C(Nc1nccs1)[C@@H]1[C@@H]2C[C@@H]3[C@@H]1C(=O)O[C@@H]3[C@@H]2Br	8474954	MZOXLTILEBFDPQ-HZSQWRGQSA-N	343.202	1.653	50	40	EDGB	
O=C(NNS(=O)(=O)Cc1cccc(F)c1)c1ccccc1F	69780000	IDZGKBHOGQNEHJ-UHFFFAOYSA-N	326.324	1.729	50	40	EDGB	
Cc1nc2ccccc2n1CC(=O)NNC(=O)Cc1ccccc1F	32720268	UOUIWUFDEVKZIQ-UHFFFAOYSA-N	340.358	1.874	50	40	EDGB	
COc1cc(OC)cc(C(=O)NNC(=O)Cc2ccccc2OC)c1	5066093	AAWSIJSBLXPWNT-UHFFFAOYSA-N	344.367	1.716	50	40	EDGB	
C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccccc1N	6312105	WRIKWURVRPIPFY-YBFXNURJSA-N	338.323	1.953	50	40	EDGB	
COCCNC(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C	50080022	PBJDUNYABUNYLW-BRVCPTFNSA-N	331.416	1.954	50	40	EDGB	
Cc1noc(C)c1S(=O)(=O)NNC(=O)Cc1ccc(Cl)cc1	16120548	CBWCMOGPTMNRMY-UHFFFAOYSA-N	343.792	1.497	50	40	EDGB	
C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1c[nH]c2ccccc12	5621004	HWEIRBNZPHKKLQ-RQZCQDPDSA-N	327.304	1.474	50	40	EDGB	
COC(=O)CC1=C(C(=O)OC)[C@@H](c2cccc(F)c2)C(C#N)=C(N)O1	499850	YIXXFRXEKOUUHS-AWEZNQCLSA-N	346.314	1.624	50	40	EDGB	
O=C(NNS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cnccn1	12815648	RJLVBYGCHGPSNH-UHFFFAOYSA-N	346.290	1.119	50	40	EDGB	
CCN1C(=O)[C@@]2(C(C#N)=C(N)OC(C)=C2C(=O)OC)c2ccccc21	4753262	WWBCUMWSJMEGCH-GOSISDBHSA-N	339.351	1.462	50	40	EDGB	
Cc1cccc(OCCN2C(=O)/C(=N\NC(N)=O)c3ccccc32)c1	46084812	OJTXLAVIHNZONA-SILNSSARSA-N	338.367	1.793	50	40	EDGB	
O=C(NNC1=NS(=O)(=O)c2ccccc21)c1ccc(Cl)cc1	87867	RKTLFUOJXIIVKG-UHFFFAOYSA-N	335.772	1.724	50	40	EDGB	
O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1C2	102607328	AVKVTROIMBJUTG-JLUCKKNBSA-N	348.786	1.553	50	40	EDGB	
CN(C)/C=C(\C#N)C(=O)N/N=C(\CC(=O)C(F)(F)F)c1ccco1	5659004	DPKCPYZVBAZVSD-HMMGSGLESA-N	342.277	1.590	50	40	EDGB	
COc1c([N+](=O)[O-])cc(C(=O)N/N=C/c2ccco2)cc1[N+](=O)[O-]	9871791	MFDFQHKREQMVLG-VGOFMYFVSA-N	334.244	1.869	50	40	EDGB	
CC(C)(C)OC(=O)NC1CCC(NCc2ccccc2B(O)O)CC1	585124332	DWKLMNDATSCSGC-UHFFFAOYSA-N	348.252	1.292	50	40	EDGB	
C/C(N)=C(/C#N)C(=O)COC(=O)Cc1ccc(Br)cc1	4829267	KSPUCJSUFXBEQD-FMIVXFBMSA-N	337.173	1.860	50	40	EDGB	
O=C(Cc1ccccc1F)NNC(=O)CN1CCCc2ccccc21	6253454	NDRVKGPWQLYPLQ-UHFFFAOYSA-N	341.386	1.968	50	40	EDGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OC	7784872	OIBYRLZTOJTEAK-LZYBPNLTSA-N	340.177	1.210	50	40	EDGB	
CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N/Nc1ccccc1Cl	101141216	QWPCPDUJCKEJIF-CPNJWEJPSA-N	332.747	1.309	50	40	EDGB	
CCn1nc(C(=O)NNC(=O)C[C@@H]2C=CCC2)c2ccccc2c1=O	8241457	OMICIHGROCBQNB-GFCCVEGCSA-N	340.383	1.534	50	40	EDGB	
CCN1CC=C2[C@H](C1)[C@H](c1ccncc1)C(C#N)=C(N)C2(C#N)C#N	35419850	HJQSNRQIRXLQIX-DOTOQJQBSA-N	330.395	1.827	50	40	EDGB	
CNC(=O)C1=C2SC[C@@](C)(O)N2C(N)=C(C#N)[C@H]1c1ccccc1	481763	MXIXVEUSTRZUIE-SJKOYZFVSA-N	342.424	1.193	50	40	EDGB	
CC(=O)N[C@@H](CC(=O)OCC(=O)/C(C#N)=C(\C)N)c1ccccc1	6567092	QTJAZOYZUQQKLQ-GOFCXVBSSA-N	329.356	1.122	50	40	EDGB	
COCCNC(=O)CC(=O)N/N=C\c1cccc(Cl)c1Cl	59444506	LNCLBSZVKGBNFO-IUXPMGMMSA-N	332.187	1.596	50	40	EDGB	
COC(=O)CCC(=O)NNC(=O)CCC(=O)Nc1ccc(C)cc1C	4551157	DZEGATGVXHWEKX-UHFFFAOYSA-N	349.387	1.123	50	40	EDGB	
O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccccc1	408615124	MEOOAXIYRJZYDI-CYBMUJFWSA-N	341.342	1.640	50	40	EDGB	
CCc1ccc(C(=O)NNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1	13006545	CDPULXRDBWYMRR-GUYCJALGSA-N	347.440	1.464	50	40	EDGB	
COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC(C)C	7784876	INBBDFOPKZQBPW-VIZOYTHASA-N	342.193	1.432	50	40	EDGB	
Cc1cccc(N2C[C@H](C(=O)NNC(=O)c3ccccc3)CC2=O)c1	408640865	KAVJPVMGMCEDPF-OAHLLOKOSA-N	337.379	1.809	50	40	EDGB	
NC(=O)C[C@H](NS(=O)(=O)c1ccc(CCCCl)cc1)C1CC1	75147513	PGIXFFSPQYRKMJ-AWEZNQCLSA-N	344.864	1.790	50	40	EDGB	
Cc1ccc(S(=O)(=O)NCc2ccc(/C=N/NC(N)=O)o2)cc1	217038023	DPAXHHPPHOUEKV-LZYBPNLTSA-N	336.373	1.069	50	40	EDGB	
O=C(CN1CCCCC1=O)NNC(=O)c1cc(-c2ccccc2)on1	44934152	QUDSWQJSVAYQKW-UHFFFAOYSA-N	342.355	1.115	50	40	EDGB	
COc1cc(/C=C(\C#N)C(N)=O)cc(I)c1O	7154676	LZHVSLFUDAWOPY-FARCUNLSSA-N	344.108	1.398	50	40	EDGB	
Cc1ccccc1C(=O)NNC(=O)C1CCN(c2ncccn2)CC1	15936040	UITTWBVBMVWPBM-UHFFFAOYSA-N	339.399	1.463	50	40	EDGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(O)cc1O	222581	FOGHQFVDHQGEPE-LZYBPNLTSA-N	331.284	1.535	50	40	EDGB	
C/C(CC(=O)C(F)(F)F)=N\NC(=O)Cn1ccc(C(F)(F)F)n1	101157995	SKIGOKAWIBGZEK-NGYBGAFCSA-N	344.215	1.916	50	40	EDGB	
COCCCNC(=O)C(=O)N/N=C/c1cccc(Br)c1	59515805	DHZWROLIMBJUGL-CXUHLZMHSA-N	342.193	1.052	50	40	EDGB	
O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)Nc1ccccc1F	15952123	QGBSVNYMCNVNGD-UHFFFAOYSA-N	348.290	1.966	50	40	EDGB	
CCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1	408610548	OCAMYCIGXDWJLY-SRZZPIQSSA-N	343.358	1.991	50	40	EDGB	
C[C@H]1C(=O)Nc2ccccc2CN1S(=O)(=O)CBr	585115029	JMQBMENBKBSKNH-QMMMGPOBSA-N	333.207	1.511	50	40	EDGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3ncnc(O)c32)ccc1OC	16688865	JTMKMSWYHMRPFR-ZDUSSCGKSA-N	340.339	1.808	50	40	EDGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2ccncc2)c1C#N	195430	NDYHTTLWCIHGSG-AWQFTUOYSA-N	339.355	1.332	50	40	EDGB	
Cc1ccc(C(=O)/C=C(\O)C(=O)NNC(=O)c2cccc(O)c2)cc1	100932863	ZOVBBHVSRXFCDI-YBEGLDIGSA-N	340.335	1.786	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)C(=O)NC2CCCCC2)cc1Cl	4600080	KGKUCPWBATZOHB-UHFFFAOYSA-N	337.807	1.858	50	40	EDGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(N)=O)cc1OC	113855434	JAQUUBYYNXJYLC-BJMVGYQFSA-N	335.157	1.862	50	40	EDGB	
CS(=O)(=O)CCC(=O)NNC(=O)c1cc2c(s1)CCCCC2	44936850	FSXUXIAWNBBRCV-UHFFFAOYSA-N	344.458	1.213	50	40	EDGB	
CC(=O)N[C@@H](C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C	5065543	BEGOCOLZEJLVOR-GNFNDJEDSA-N	335.448	1.511	50	40	EDGB	
O=C(CSc1nnc2ccccn12)NNC(=O)c1ccccc1F	6114923	XICUSMGFJMRDSK-UHFFFAOYSA-N	345.359	1.422	50	40	EDGB	
COCCC(=O)N/N=C(\C)CC(=O)NCc1ccccc1Cl	100375087	PIGPQBGZIPABDA-WOJGMQOQSA-N	325.796	1.875	50	40	EDGB	
Cn1c(CBr)c(C(=O)c2ccccc2)c(=O)n(C)c1=O	552473	BARUKSFSFFTJBU-UHFFFAOYSA-N	337.173	1.210	50	40	EDGB	
CC(=O)c1c(NNC(=O)CNc2ccc(F)cc2)oc(C)cc1=O	4614592	VLTYDKOJBQFYBR-UHFFFAOYSA-N	333.319	1.845	50	40	EDGB	
COc1ccc(/C=N/NC(=O)C(=O)NC2CCCCCC2)cc1OC	409004147	ATPHPVVLOSQBCP-XDHOZWIPSA-N	347.415	1.993	50	40	EDGB	
O=C(NNS(=O)(=O)c1c(F)cccc1F)c1cc(Cl)c[nH]1	9578374	OZHPHYSSMJAYEN-UHFFFAOYSA-N	335.719	1.570	50	40	EDGB	
CC[C@@H](C)c1ccc(S(=O)(=O)NNC(=O)C(=O)NC(C)C)cc1	8704470	OOTZVHSUTQNMNY-LLVKDONJSA-N	341.433	1.034	50	40	EDGB	
COC(=O)[C@H](CNC(=O)CBr)Cc1ccc(F)cc1	95097983	ZAPCHBYKLKNDRG-JTQLQIEISA-N	332.169	1.669	50	40	EDGB	
COCCNC(=O)CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1	59459591	VBYABHSRMJTVIP-CAOOACKPSA-N	332.187	1.596	50	40	EDGB	
Cc1scc(C(=O)NNC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)c1C	102198235	AJXALPZZKVFHDX-YFKTTZPYSA-N	338.385	1.004	50	40	EDGB	
Cc1cccc2c1NC(=O)/C2=N\NC(=O)c1nc2ccccc2c(=O)[nH]1	13120078	GMUXBOBLJBMMHR-UHFFFAOYSA-N	347.334	1.318	50	40	EDGB	
C/C(CC(=O)C(F)(F)F)=N\NC(=O)CCN1C[C@H](C)O[C@H](C)C1	6550598	NIXMRLUWHMCMRP-LCUGWIDJSA-N	337.342	1.499	50	40	EDGB	
CCOC(=O)/C(=C\NNC(=O)c1ccccn1)C(=O)c1ccccc1	408896377	YGEGXHBZXZWKGJ-OWBHPGMISA-N	339.351	1.646	50	40	EDGB	
Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NN)cc2)cc1	5985588	DFVSODDFSLEWSZ-UHFFFAOYSA-N	335.385	1.165	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(O)cc1O	318783	CKBKEUZUVQZOPS-UHFFFAOYSA-N	342.760	1.375	50	40	EDGB	
O=C(CCc1nnc(-c2ccccc2)o1)NNC(=O)c1cccnc1	27766847	CNRLYIBJESMTRZ-UHFFFAOYSA-N	337.339	1.525	50	40	EDGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)[C@H]3C=NNC3=O)ccc21	100948836	VPEIUBUNWKPBAX-IXJMWADBSA-N	347.378	1.996	50	40	EDGB	
CS(=O)(=O)N(CC(=O)N/N=C\c1ccncc1)C1CCCCC1	108060055	RUHWQRPOSVSLQN-BOPFTXTBSA-N	338.433	1.126	50	40	EDGB	
Cc1cc(C(=O)O)cc(S(=O)(=O)NNC(=O)c2ccccc2)c1C	13079322	SRKBOTBKQMYGQI-UHFFFAOYSA-N	348.380	1.625	50	40	EDGB	
COc1cc(/C=C/C(=O)NCC(=O)NN=C(C)C)cc(OC)c1OC	4783654	IPKHMNBYZZFUDW-VOTSOKGWSA-N	349.387	1.354	50	40	EDGB	
O=C(NC(=S)NNC(=O)c1cccs1)c1ccc2c(c1)OCO2	6243151	HMBVDCUPQAKEPV-UHFFFAOYSA-N	349.393	1.426	50	40	EDGB	
COCCCNC(=O)/C(C#N)=C/c1cc(OC)c(OC)c(OC)c1	6638453	DLKBBJIDJVWSKP-MDWZMJQESA-N	334.372	1.772	50	40	EDGB	
COc1cc(/C=N/NC(N)=O)cc(Br)c1OCC#N	2752657	VKCROCVTVJYSNW-GIDUJCDVSA-N	327.138	1.362	50	40	EDGB	
O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C\c1cccnc1	19902393	VLFVPLQEFQAYSK-STZFKDTASA-N	337.427	1.350	50	40	EDGB	
COc1ccc(Cl)cc1N(CC(=O)NN=C(C)C)S(C)(=O)=O	408783646	POYPWPAJHRJLCZ-UHFFFAOYSA-N	347.824	1.627	50	40	EDGB	
CC(C)(C)CC(=O)NNS(=O)(=O)c1cccc(C(=O)O)c1F	585119101	QQWAEMGBZFIQIK-UHFFFAOYSA-N	332.353	1.270	50	40	EDGB	
CCn1c([P@](=O)(O)c2ccc(C(=O)O)cc2)nc2ccccc21	8553120	JEMAJAXJNQNEOH-UHFFFAOYSA-N	330.280	1.976	50	40	EDGB	
NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1	3245245	UKXHDYKLHYHHHF-UHFFFAOYSA-N	325.777	1.744	50	40	EDGB	
CC1(C)CC(NC(=O)CI)CC(C)(C)N1O	2539318	MWZANHRWWCPXQM-UHFFFAOYSA-N	340.205	1.948	50	40	EDGB	
CN(C)N(C(=O)c1cccc(-n2cccc2)c1)[C@H]1CCS(=O)(=O)C1	12606019	QTPYKNUJXMSDIK-INIZCTEOSA-N	347.440	1.583	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccco1	7519766	GERRXXVAFIMVFF-UHFFFAOYSA-N	334.275	1.922	50	40	EDGB	
O=C(N/N=C\c1ccc(O)c([N+](=O)[O-])c1)c1cc([N+](=O)[O-])ccc1O	408918874	PZTVNOXEECUBOY-CHHVJCJISA-N	346.255	1.678	50	40	EDGB	
O=C(O)COc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1	408598769	JMWDOXKFOGIORT-RQZCQDPDSA-N	343.295	1.822	50	40	EDGB	
COc1ccc(C(=O)NN)cc1CN(C)S(=O)(=O)c1ccccc1	224765108	KHVWZUDQPCHFGD-UHFFFAOYSA-N	349.412	1.119	50	40	EDGB	
N[C@@H](Cc1ccc(O)cc1)C(=O)N/N=C/c1ccc2c(c1)OCO2	1576718	WNDAKFHGMUZQCA-FRSZACSASA-N	327.340	1.141	50	40	EDGB	
O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc2ccccc2c1	15639367	VRKPKVUCLYQKRV-AWEZNQCLSA-N	332.381	1.036	50	40	EDGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2ccco2)c1C#N	195439	GSUNJPJMGBMCHR-QGMBQPNBSA-N	328.328	1.530	50	40	EDGB	
Cc1cc(C)nc(NNC(=O)[C@@H]2CCCN(C(=O)c3ccoc3)C2)n1	30625347	PSYRXFYUWYGBTH-CYBMUJFWSA-N	343.387	1.682	50	40	EDGB	
COc1c2c(c(NC(=O)NCCCl)c3c1OCO3)CCN(C)C2	32124332	BNFRKZNACMOFKZ-UHFFFAOYSA-N	341.795	1.772	50	40	EDGB	biogenic
Cc1cc(C(=O)NNC(=O)[C@H]2CCCO2)c(C)n1-c1ccccn1	32261438	UAXKFUDGYZEBHZ-CQSZACIVSA-N	328.372	1.429	50	40	EDGB	
CC(C)c1c(C(=O)N/N=C/c2ccsc2)nnn1-c1nonc1N	2403874	SZYYDRFAVALAFO-PJQLUOCWSA-N	346.376	1.181	50	40	EDGB	
CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2cccnc2O)cc1	12794268	UBOHSQYGIUPHBH-UHFFFAOYSA-N	343.383	1.925	50	40	EDGB	
COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)cc1	9014164	NAWXYQQVXJAOGM-CQSZACIVSA-N	337.335	1.688	50	40	EDGB	
CC(C)C(=O)NNC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1	16839324	BIZCEHUVLCTAFN-UHFFFAOYSA-N	347.802	1.967	50	40	EDGB	
NS(=O)(=O)c1ccc(NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1	1619292	PDSKLNRXHPPMRL-UHFFFAOYSA-N	337.313	1.853	50	40	EDGB	
O=C(NCCc1c[nH]c2ccccc12)OCCSS(=O)(=O)O	2155755	XFENHISFALICPX-UHFFFAOYSA-N	344.414	1.973	50	40	EDGB	biogenic
N#C/C(=C/c1ccccc1)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1	3206717	GDXUORAOFHBILA-ZROIWOOFSA-N	336.307	1.963	50	40	EDGB	
O=C(NNC(=O)[C@H]1CCCN1C(=O)c1cccs1)c1ccccc1	12971405	IMTIUZBEUTXTRY-CYBMUJFWSA-N	343.408	1.814	50	40	EDGB	
CC(C)[C@@H](C)NCC(=O)NNC(=O)c1ccc(Br)cc1	6510560	WUJAVOYJSCZQOI-SNVBAGLBSA-N	342.237	1.844	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1	28431002	JZZOJYXAQLZRAD-OAHLLOKOSA-N	337.379	1.809	50	40	EDGB	
CC[C@@H]1CCc2sc(C(=O)NNC(=O)[C@H](C)NC(N)=O)cc2C1	27327172	HMNBTMLQMFWPNF-DTWKUNHWSA-N	338.433	1.081	50	40	EDGB	
CCc1[nH]nc2c1[C@H](c1cc(OC)c3c(c1)OCO3)C(C#N)=C(N)O2	15109278	BPFUALSTMPLIFO-CYBMUJFWSA-N	340.339	1.928	50	40	EDGB	
COc1ccccc1C(=O)NNC(=O)C(=O)Nc1ccccc1C	4838853	OPPCRJWZSRATBC-UHFFFAOYSA-N	327.340	1.403	50	40	EDGB	
C/C(CC(=O)Nc1ccc(C)c(C)c1)=N/NC(=O)C(=O)N1CCCC1	101053832	MVFDDNVCMAEGFT-ZHZULCJRSA-N	344.415	1.747	50	40	EDGB	
C[C@@H](NC(N)=O)C(=O)NNC(=O)c1cc2c(s1)CCCCCC2	28083043	AOQGQMLITJCRQH-SECBINFHSA-N	338.433	1.225	50	40	EDGB	
N#CC1=C(N)NC(SCC(N)=O)=C(C#N)[C@H]1c1ccccc1Cl	3899530	AGEFFQMVGLBRPU-ZDUSSCGKSA-N	345.815	1.674	50	40	EDGB	
Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1	3672372	ATJOSZDPYMVVKH-GIDUJCDVSA-N	332.276	1.158	50	40	EDGB	
COc1ccccc1/C=N/NC(=O)CNS(=O)(=O)c1ccccc1	5721140	DWTHVPBVQPXUJB-GZTJUZNOSA-N	347.396	1.124	50	40	EDGB	
CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)OC(C)(C)C)cc1	7405444	LGVHSDGWDIKWAR-UHFFFAOYSA-N	329.378	1.363	50	40	EDGB	
COc1c(O)cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1[N+](=O)[O-]	8783197	PKSSFHAAELUZOO-GFCCVEGCSA-N	343.299	1.559	50	40	EDGB	
COc1ccc(OCCCC(=O)NNC(=O)c2ccncc2)cc1	12921023	CPXSNRYUWUQTNX-UHFFFAOYSA-N	329.356	1.710	50	40	EDGB	
Cc1nc2cc(F)cc(C(=O)NNC(=O)[C@H]3CCCO3)c2nc1C	84057244	PGZHHTUZZPLDTL-CYBMUJFWSA-N	332.335	1.326	50	40	EDGB	
COc1ccc([C@H]2C(C#N)=C(N)O[C@@H]3NN=C(C(F)(F)F)[C@@H]32)cc1	5513932	WYEWJZSHVXDDKU-MJVIPROJSA-N	338.289	1.967	50	40	EDGB	
CCCC(=O)Nc1ccc(C(=O)NNC(=O)CCC(=O)OC)cc1	4616024	IHUFINBUVVQTAJ-UHFFFAOYSA-N	335.360	1.139	50	40	EDGB	
Cc1c(C(=O)NNC(=S)NC[C@H]2CCCO2)cccc1[N+](=O)[O-]	17070985	XDWJVKRJLAMJFY-SNVBAGLBSA-N	338.389	1.191	50	40	EDGB	
CC(=O)N/N=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1	408784630	WBZZDVRWFRVGOK-VXLYETTFSA-N	342.355	1.313	50	40	EDGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2nonc2N)c(OC)c1	408720047	JNKFOBAERFGUKD-RQZCQDPDSA-N	332.364	1.271	50	40	EDGB	
Cc1c(Cl)c(C(=O)N/N=C/c2ccn(CC(F)(F)F)n2)nn1C	252491316	LLXXNJFRPVIDTQ-YAXRCOADSA-N	348.716	1.905	50	40	EDGB	
COc1ccc2c(c1OC)C(=O)O[C@@H]2NNC(=O)c1cccc(O)c1	5375404	QUUCPZGZZBWDNL-INIZCTEOSA-N	344.323	1.513	50	40	EDGB	
CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC(=O)CCl)c2)CC1	4182452	SNZVCUHQEVLAFL-UHFFFAOYSA-N	340.767	1.441	50	40	EDGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C\N2CCC(C(N)=O)CC2)cc1C	102820882	HOWUYHDGDFSALD-WJDWOHSUSA-N	347.440	1.639	50	40	EDGB	
COc1ccc(/C(C)=N/NC(=O)CNC(=O)c2ccco2)c(OC)c1	4805304	HGJVHRAWCGBJCS-YBFXNURJSA-N	345.355	1.567	50	40	EDGB	
COc1ccc(/C=N/NC(=O)C(=O)N2CCc3ccccc3C2)cc1	33797713	IJFYENBEPGDWJP-UDWIEESQSA-N	337.379	1.730	50	40	EDGB	
COc1ccccc1[C@H]1N[C@H](C(=O)NN)Cc2c1[nH]c1ccccc21	35977337	VXLQVDARVWFUJG-DOTOQJQBSA-N	336.395	1.770	50	40	EDGB	biogenic
CO[C@H]1CN(C(=O)/C(C#N)=C/C(C)C)C[C@@H]1CC(=O)N1CCCC1	585289957	ORWPIJOLKSETBN-XFCDKJKVSA-N	333.432	1.578	50	40	EDGB	
C/C(CC(=O)Nc1ccccc1C(N)=O)=N\NC(=O)c1cccnc1	101159448	RMZBMDUSSUMSJA-SRZZPIQSSA-N	339.355	1.315	50	40	EDGB	
COc1ccc(CCCc2nnc(SCC(=O)NN)o2)c(C)c1	83630	IUIBLNYSNMPOHK-UHFFFAOYSA-N	336.417	1.644	50	40	EDGB	
COc1cc(/C=N/NC(N)=O)ccc1OCc1cccc(C(=O)O)c1	59247929	FJVZYIGNAPWLSA-DJKKODMXSA-N	343.339	1.975	50	40	EDGB	
O=C(CCCn1c(=O)oc2ccccc21)NNC(=O)c1cccs1	6559803	SRCYUZAQYKGQOT-UHFFFAOYSA-N	345.380	1.897	50	40	EDGB	
N#C/C(=C\c1ccc(O)c(Br)c1)C(=O)N1CCOCC1	4723622	YGQDBBTXRFHKRQ-YRNVUSSQSA-N	337.173	1.920	50	40	EDGB	
COc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)ccc1O	409364227	NQTXZUMBONAETD-ODLFYWEKSA-N	342.351	1.865	50	40	EDGB	
N#CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1ccccc1	408811656	MSYQULAIGBGENE-CIAFOILYSA-N	336.351	1.469	50	40	EDGB	
CCn1ncc(/C=N/NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1F	252488606	IVJSPOVZBJGGFO-PJQLUOCWSA-N	337.315	1.032	50	40	EDGB	
CCN1C(=O)/C(=N\NC(=O)Cn2nnc3ccccc32)c2ccccc21	6343569	LJWYWFSVZDSSAV-FXBPSFAMSA-N	348.366	1.318	50	40	EDGB	
Cn1ncc([N+](=O)[O-])c1C(=O)N/N=C/c1c(F)cccc1Cl	482956	IMDVYILFVFECJY-PJQLUOCWSA-N	325.687	1.885	50	40	EDGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc([N+](=O)[O-])ccc1O	1923480	XRDWKAWPPXPZKJ-CXUHLZMHSA-N	344.283	1.901	50	40	EDGB	
CC(=O)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1	2064489	IFVPOSILJHXOEV-UHFFFAOYSA-N	343.408	1.921	50	40	EDGB	
O=C(NNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc2c(c1)OCO2	106521701	NJPLNIZOYZXSDJ-JBLDHEPKSA-N	333.413	1.713	50	40	EDGB	
O=C(Cc1cccc(F)c1)NNC(=O)[C@@H]1COc2ccccc2O1	12944766	ZOUPNDNNOPWFQX-HNNXBMFYSA-N	330.315	1.356	50	40	EDGB	
CS(=O)(=O)NCC(=O)NN=C(c1ccccc1)c1ccccc1	67790693	MFRGKYJTZPHRQZ-UHFFFAOYSA-N	331.397	1.104	50	40	EDGB	
COc1ccc2c(Cl)c(C(=O)NCC(=O)NN)sc2c1Cl	408971256	DZLGHKXJZOVFBO-UHFFFAOYSA-N	348.211	1.936	50	40	EDGB	
CC1(C)[C@]2(C(=O)N/N=C/c3ccc4c(c3)OCO4)CC[C@@]1(C)C(=O)O2	530543	CNCVZNPURRVSBS-RZKWFVMWSA-N	344.367	1.987	50	40	EDGB	
O=C(NCc1ccccc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1	5603231	ICGLIPKXVLKHNL-WOJGMQOQSA-N	326.312	1.361	50	40	EDGB	
COC(=O)CC1=C(C(=O)OC)[C@H](c2cccs2)C(C#N)=C(N)O1	499818	FZUZMYPPIATCTR-LBPRGKRZSA-N	334.353	1.546	50	40	EDGB	
O=C(CN1CCCc2ccccc21)NNC(=O)c1cc(C2CC2)on1	25127607	ARAQVINTRVMNME-UHFFFAOYSA-N	340.383	1.766	50	40	EDGB	
Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)NN)cc1	107630816	RLLZWJFGQZSYLR-UHFFFAOYSA-N	335.385	1.165	50	40	EDGB	
O=C(COC(=O)c1cccnc1Cl)NNC(=O)c1ccccc1	3396863	WBTCOHOIOHTKFX-UHFFFAOYSA-N	333.731	1.353	50	40	EDGB	
Cc1nc(/C=C/C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cs1	14290881	MQGXRDNEBNJLLI-UZYOAWRESA-N	345.380	1.452	50	40	EDGB	
CC/C(=N/NC(=O)c1ccoc1C)c1ccc(OCC(N)=O)cc1	5523045	YNMLCQDBHPALBX-CYVLTUHYSA-N	329.356	1.996	50	40	EDGB	
O=C(Cc1ccc(F)cc1)NNS(=O)(=O)c1cccc(F)c1	7388009	DPBVBXWWLVOXDU-UHFFFAOYSA-N	326.324	1.517	50	40	EDGB	
O=C(NNC(=S)NC(=O)c1cccnc1)c1ccc(Cl)nc1	36612704	PULPNAJXBQGVHY-UHFFFAOYSA-N	335.776	1.079	50	40	EDGB	
CC1=C(C#N)C(=O)NC(=O)/C1=C\NC(=O)Nc1ccc(Cl)cc1	16694033	FOBXPBVETCLHTG-GHXNOFRVSA-N	330.731	1.842	50	40	EDGB	
N#Cc1ccccc1OCC(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1	34835679	JOLGEDQXQXEUNG-GIJQJNRQSA-N	340.295	1.701	50	40	EDGB	
COC(=O)Cc1[nH]nc2c1[C@@H](c1ccccc1Cl)C(C#N)=C(N)O2	4453355	CSTNGQYEIQVBKG-ZDUSSCGKSA-N	344.758	1.997	50	40	EDGB	
COc1cc(C(=O)NNC(=O)c2cccn2C)ccc1OC(C)C	14233717	DISXSAABZJBVLM-UHFFFAOYSA-N	331.372	1.896	50	40	EDGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2)c(OC)c1	4702990	XZSZQUHUJZLULY-WOJGMQOQSA-N	327.340	1.793	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)CSc2nnc3ccccn23)cc1	7006956	VPORCSQYNTUUIL-UHFFFAOYSA-N	341.396	1.591	50	40	EDGB	
CCOC(=O)NNC(=O)CCCN1CCN(c2ccccc2)CC1	69592118	HBZREJGRNUFZOC-UHFFFAOYSA-N	334.420	1.366	50	40	EDGB	
CC(=O)N1CCN(c2ccc(N3C[C@@H](C(=O)Cl)CC3=O)cc2)CC1	45957348	QEJPLNDQMZADCU-ZDUSSCGKSA-N	349.818	1.473	50	40	EDGB	
N#Cc1ccc(OCC(=O)NNC(=O)COc2ccccc2F)cc1	3613897	VVJCWWLLNAJICM-UHFFFAOYSA-N	343.314	1.303	50	40	EDGB	
O=C(NC(=S)NNC(=O)c1ccccc1O)c1ccc(F)cc1	2316476	UGIXWPMCTBKQBZ-UHFFFAOYSA-N	333.344	1.481	50	40	EDGB	
NNC(=O)[C@H](NC(=O)c1ccccc1)c1nc2ccccc2s1	41154999	NZTGDZVZIANZFA-ZDUSSCGKSA-N	326.381	1.757	50	40	EDGB	
CCOC(=O)C1=C(C)S/C(=C/C(C#N)=C(\N)N2CCOCC2)C1=O	497295	HKCZIIJGJJZNCR-KJNPNZLNSA-N	349.412	1.049	50	40	EDGB	
COC(=O)Cc1[nH]nc2c1[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2	809483	BBOULLKVHBFVTJ-ZDUSSCGKSA-N	344.758	1.997	50	40	EDGB	
Cc1cc([N+](=O)[O-])nn1CCC(=O)NNC(=O)Cc1ccc(F)cc1	2785503	YCZKDYUXWJTNSH-UHFFFAOYSA-N	349.322	1.019	50	40	EDGB	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1cc2c(s1)CCC2	3429889	SNBJCBWZBXEBLM-CYBMUJFWSA-N	344.392	1.838	50	40	EDGB	
Cc1n[nH]cc1C(=O)NNC(=O)CCc1cnn(-c2ccccc2)c1	69737221	QNSMYSBRAXRGLF-UHFFFAOYSA-N	338.371	1.298	50	40	EDGB	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1n[nH]c(=O)c2ccccc12	5594888	WACGHNVKMZCRGZ-RQZCQDPDSA-N	337.295	1.595	50	40	EDGB	
CCOC(=O)c1c(/C=C/C(=O)NNC(=O)NC)c(C)n(CC)c1C	56375670	JLLXIKSJKLUWAX-CMDGGOBGSA-N	336.392	1.275	50	40	EDGB	
O=C(CC(=O)N/N=C/c1ccccc1O)NCCc1ccccc1	59516038	YBRBLNRXNJARLF-DEDYPNTBSA-N	325.368	1.591	50	40	EDGB	
O=C(N/N=C/c1ccccc1C(=O)O)C(=O)Nc1ccccc1F	59444365	NKRUEVQNBQZUBX-GIJQJNRQSA-N	329.287	1.613	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)CNC(=O)C2CCCCC2)c(C)c1	14199971	HUAPZUGSMLGKBS-UHFFFAOYSA-N	331.416	1.761	50	40	EDGB	
CCOc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccco2)cc1	4590384	SIORQOINYJRIRP-UHFFFAOYSA-N	345.355	1.858	50	40	EDGB	
CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NN)c2)cc1	225501032	ALUMOHUZTOELEW-UHFFFAOYSA-N	335.385	1.490	50	40	EDGB	
O=C(O)c1cnc(C(=O)O)c(C(=O)O)c1/C=C/CBr	230488031	FVJAWGFUFDXBFH-OWOJBTEDSA-N	330.090	1.584	50	40	EDGB	
CC(/C=N/NC(=O)c1ccc(O)cc1)=N\NC(=O)c1ccc(O)cc1	100917477	NBANEGFRUCHXMJ-XOBNHNQQSA-N	340.339	1.619	50	40	EDGB	
O=C(COC(=O)COc1ccccc1)NNC(=O)c1ccccc1	3388545	LBTBVOQYUUJEND-UHFFFAOYSA-N	328.324	1.070	50	40	EDGB	
COc1cc(C(=O)NNC(=S)NC2CC2)ccc1OC(F)F	2787863	JVNWACMMBUXXNT-UHFFFAOYSA-N	331.344	1.568	50	40	EDGB	
CN(C)c1ccc(/C=N/NC(=O)C(=O)Nc2cccc(F)c2)cc1	2749162	YEMYRXJPCNIAOD-YBFXNURJSA-N	328.347	1.981	50	40	EDGB	
CC(=O)NNC(=O)CCN1C(=O)S/C(=C\c2ccc(C)cc2)C1=O	4134827	QAVGYQLZLOPJOR-LCYFTJDESA-N	347.396	1.589	50	40	EDGB	
C=CCN1C(=O)/C(=N/NC(=O)Cc2csc(N)n2)c2ccccc21	5685809	ARYDUKPVSSBVOT-XSFVSMFZSA-N	341.396	1.321	50	40	EDGB	
O=C(CCCCl)Nn1cnc2c(cnn2-c2ccccc2)c1=O	10251084	SYPPSSSIUSMIKR-UHFFFAOYSA-N	331.763	1.671	50	40	EDGB	
CC(C)(C)OC(=O)N1CCC(C(=O)NNC(=O)c2ccncc2)CC1	40464633	UZBOQGASKFUSTB-UHFFFAOYSA-N	348.403	1.490	50	40	EDGB	
Cc1ccc(C(=O)NC(=S)NNC(=O)c2ccncc2)c(C)c1	8368902	LKBYQBJDOICTSG-UHFFFAOYSA-N	328.397	1.648	50	40	EDGB	
O=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2	6335257	AUVRSBLMIQNOPS-UHFFFAOYSA-N	328.280	1.219	50	40	EDGB	
Cc1cc(S(=O)(=O)NNC(=O)c2ccccc2O)cnc1Cl	71910134	YBPBDQNMNLSEAR-UHFFFAOYSA-N	341.776	1.372	50	40	EDGB	
CC[C@@H](C)NC(=O)C/C(C)=N/NC(=O)C(=O)Nc1ccccc1OC	4401823	JZQVUSDIFMHYFU-DIQJZJFNSA-N	348.403	1.431	50	40	EDGB	
COc1ccc(OCC(=O)N/N=C/c2ccc(O)c(OC)c2)cc1	261309	IONNRFUUJYHCLO-VCHYOVAHSA-N	330.340	1.939	50	40	EDGB	biogenic
O=C(N/N=C\c1ccco1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	5664982	RDVGQQSJAPGAMX-CHHVJCJISA-N	336.691	1.930	50	40	EDGB	
N[C@H](Cc1ccc(O)cc1)C(=O)N/N=C/c1ccc2c(c1)OCO2	1576720	WNDAKFHGMUZQCA-MRGVZLDZSA-N	327.340	1.141	50	40	EDGB	
CC(C)n1nnnc1SCC(=O)NNC(=O)C1CCCCC1	1357614	JFMXLKDCDLFYKU-UHFFFAOYSA-N	326.426	1.074	50	40	EDGB	
O=C(/C=C/c1ccco1)NCC(=O)N/N=C/c1ccc([N+](=O)[O-])s1	1947595	AAWSWWRUNDECGO-PKNZJHIHSA-N	348.340	1.529	50	40	EDGB	
C[C@H](Cl)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	3885281	IBHDFRKEEOEOHR-JTQLQIEISA-N	332.809	1.273	50	40	EDGB	
COc1ccc(CC(=O)NCC(=O)N/N=C(/C)c2ccco2)cc1	4807613	QDJCWEMDDQIWPS-UNOMPAQXSA-N	329.356	1.487	50	40	EDGB	
CC(=O)N[C@@H](C(=O)NNC(=O)c1cn(C)c2ccccc12)C(C)C	8145067	CIRYJFGNEDTJOF-OAHLLOKOSA-N	330.388	1.100	50	40	EDGB	
NNC(=O)CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1	409231092	BJEAPMWAVBYGMI-UHFFFAOYSA-N	333.413	1.088	50	40	EDGB	
COc1ccc(C(=O)N2C[C@H](C(=O)NN)Oc3ccccc32)cc1	225330639	SDEOEDOPMZVUFA-OAHLLOKOSA-N	327.340	1.093	50	40	EDGB	
COc1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1	12370939	ZWALEVPWEYCNMZ-RQZCQDPDSA-N	345.311	1.838	50	40	EDGB	
O=C(N/N=C/C(Cl)=C\c1ccccc1)N[C@@H]1CCS(=O)(=O)C1	63421749	HMSRASVEJHALST-VTNJXYBCSA-N	341.820	1.738	50	40	EDGB	
COc1ccc(NCC(=O)N/N=C/c2ccccc2C(=O)O)cc1	13337923	CKUSGRQXJUZZMR-VXLYETTFSA-N	327.340	1.956	50	40	EDGB	
CC(C)=NNC(=O)CN(c1ccccn1)S(=O)(=O)c1ccccc1	4063926	VIXPRPOYVUJUCK-UHFFFAOYSA-N	346.412	1.789	50	40	EDGB	
CN(C)c1nc(N)nc(/C(C#N)=C/c2cnn(-c3ccccc3)c2)n1	9495989	HIWKHZUVYLWPBY-MDWZMJQESA-N	332.371	1.770	50	40	EDGB	
CC(=O)NNC(=S)N/C=C1\C(=O)N(c2cccc(C)c2)N=C1C	408534872	ROIZCRLZQUDTBM-JYRVWZFOSA-N	331.401	1.117	50	40	EDGB	
N#CC1=C(N2CCOCC2)S[C@H](c2ccc([N+](=O)[O-])cc2)NC1=O	9644523	FTPKUEVHFKKPTH-CQSZACIVSA-N	346.368	1.524	50	40	EDGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cc([N+](=O)[O-])ccc1O	408974621	FPCWZZWOHGYJGB-CAOOACKPSA-N	343.295	1.722	50	40	EDGB	
COc1ccc(OC)c(N(C(=O)CCl)[C@@H]2CCS(=O)(=O)C2)c1	40177630	IOLZWVHILUYEJF-SNVBAGLBSA-N	347.820	1.463	50	40	EDGB	
C/C(=N\NC(=O)CNC(=O)c1cccc(F)c1)c1cc(O)ccc1O	14921588	KKLXFCSBLWXCHX-KEBDBYFISA-N	345.330	1.507	50	40	EDGB	
C[C@H](NC(=O)C(=O)N/N=C\c1cccc([N+](=O)[O-])c1)c1ccccc1	32923323	JOJIKMUOAZECOG-SJWFJVLYSA-N	340.339	1.922	50	40	EDGB	
O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NNC(=O)[C@@H]1COc2ccccc2O1	104263100	RRTKYDGCZQQLJE-QCQGSNGOSA-N	330.384	1.800	50	40	EDGB	
CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)Cc2ccccc2)cc1	583982	JVXQKQWCNGSGCT-UHFFFAOYSA-N	347.396	1.197	50	40	EDGB	
CC(=O)OC[C@@H](Br)[C@H](Br)COC(C)=O	1687088	BTDBVZGNTYYMQZ-HTQZYQBOSA-N	331.988	1.640	50	40	EDGB	
CCNS(=O)(=O)C[C@@]1(C)[C@@H]2CC[C@]1(C)C(=O)[C@@H]2Br	100983502	CHHKYNYNFQLRRG-IQIPOGNMSA-N	338.267	1.695	50	40	EDGB	
O=C(NNC(=O)[C@H]1CCCCN1Cc1ccccc1)c1cccnc1	95400360	PQMZITHSDSMEBC-QGZVFWFLSA-N	338.411	1.897	50	40	EDGB	
C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/C=O)[C@@H](OC(=O)C(C)C)[C@@H](O)[C@@H]12	104193441	MWYCMNPDBWRCKB-KJBWJGPBSA-N	348.395	1.878	50	40	EDGB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)Cl)CC2)cc1	20181462	MKYUQNJCZZCAIY-LBPRGKRZSA-N	330.837	1.455	50	40	EDGB	
O=C(NNS(=O)(=O)/C=C/c1ccc(Cl)cc1)c1ccccn1	9533510	JUYKPWHKUJKVTJ-CSKARUKUSA-N	337.788	1.970	50	40	EDGB	
O=C1NN=C(C(F)(F)F)/C1=C/NNC(=O)c1ccc(Cl)cc1	100408841	XVLRJRMQHMAJHP-YVMONPNESA-N	332.669	1.506	50	40	EDGB	
Cc1ccc(-c2nnn(CC(=O)NNC(=O)c3cccs3)n2)cc1	31648360	LLCAVTMKBRJYLE-UHFFFAOYSA-N	342.384	1.171	50	40	EDGB	
COC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(N)=O)=C(C)N1	121914	JNHIMBOHOLBHPV-ZDUSSCGKSA-N	333.369	1.367	50	40	EDGB	
COc1cc(/C=N/NC(=O)CN2CCCCC2)cc(OC)c1OC	233629	LAHIUUPYZYOUFD-WOJGMQOQSA-N	335.404	1.648	50	40	EDGB	
C/C(=N\NC(=O)c1sc(N)nc1C)[C@H]1Cc2ccccc2C(=O)O1	42676556	GMRXICZXORMNAU-OZOTYFBYSA-N	344.396	1.921	50	40	EDGB	
COCCCNC(=O)C(=O)N/N=C/c1ccccc1C(F)(F)F	59459565	AJIYRUAYEHWZSZ-DJKKODMXSA-N	331.294	1.308	50	40	EDGB	
C[C@@]1(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)CC1(Cl)Cl	100557779	ZBSQHCMLPOZMBH-IHDRBEERSA-N	347.198	1.241	50	40	EDGB	
COc1ccc(C(=O)Oc2cc(/C=N/NC(N)=O)ccc2OC)cc1	408885536	BPENPBOWELHDNX-VXLYETTFSA-N	343.339	1.925	50	40	EDGB	
CC(C)n1ncc2cc(C(=O)NNC(=O)c3cccc(O)c3)cnc21	9314652	MHVUQSAKACNSNX-UHFFFAOYSA-N	339.355	1.793	50	40	EDGB	
O=C(NNC(=O)N1CCN(c2ccccc2)CC1)c1cccs1	9316871	BQDPWOJTWDWWKC-UHFFFAOYSA-N	330.413	1.925	50	40	EDGB	
CCNC(=S)NNC(=O)c1cc(C2CC2)nc2c1c(C)nn2C	17068423	LYAKZSMJYALQES-UHFFFAOYSA-N	332.433	1.283	50	40	EDGB	
COc1cc(N2CCOCC2)ccc1/C=N\NC(=O)c1ccco1	409252255	WXUMQMKYDDJAOP-PDGQHHTCSA-N	329.356	1.889	50	40	EDGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1O)[C@H]1COc2ccccc2O1	13563436	AUKIOJCFYGWINJ-TUBDAXHVSA-N	343.295	1.591	50	40	EDGB	
CCn1c(=O)c(/C=C(\C#N)C(=O)N2CCOCC2)cc2ccccc21	36625747	NNTIQQSPOJJFCL-FOWTUZBSSA-N	337.379	1.787	50	40	EDGB	
Cn1nc([N+](=O)[O-])cc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2	253402390	OHUSJANJOGNCEF-ZDUSSCGKSA-N	343.343	1.779	50	40	EDGB	
O=C(CNc1ccccc1)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2	43229	DKOSAYILQMBNQK-QGMBQPNBSA-N	342.311	1.886	50	40	EDGB	
C[C@H]1CCc2sc(C(=O)NNC(=O)c3cccc[n+]3[O-])cc2C1	44980381	PXLVEVHAAQXGJG-JTQLQIEISA-N	331.397	1.581	50	40	EDGB	
CC1=NN(c2ccccc2)C(=O)[C@@H]1C(=S)S[C@@H]1CC(=O)OC1=O	104203780	KVUWXLFILPJQLN-ZYHUDNBSSA-N	348.405	1.928	50	40	EDGB	
COc1cccc(/C=N/NC(=O)c2ccccn2)c1O[C@H](C)C(=O)O	409228979	HZSDLFYOCYNIBN-VURRPDKYSA-N	343.339	1.706	50	40	EDGB	
CC1=C(C#N)C(=O)NC(=O)/C1=C\c1ccc(-c2ccc(C(N)=O)cc2)o1	96193211	YUTZTHDLVXAMBN-ZSOIEALJSA-N	347.330	1.925	50	40	EDGB	
CCc1[nH]nc2c1[C@@H](c1cccc(OCC(N)=O)c1)C(C#N)=C(N)O2	5130112	QWECHMUYKKXMTO-AWEZNQCLSA-N	339.355	1.054	50	40	EDGB	
Cc1nn(C)cc1/C=N/NC(=O)[C@@H](C)Cn1nc(C)c([N+](=O)[O-])c1C	2784437	DJDLFQCAJSZCNK-SWEBQMAJSA-N	347.379	1.236	50	40	EDGB	
Cc1cc(C(=O)NNc2nnc(C)c(O)n2)c2ccc(F)cc2n1	47432087	WJKYZBCJOODJLZ-UHFFFAOYSA-N	328.307	1.638	50	40	EDGB	
O=C(CSc1nc2ccccc2s1)NNC(=O)[C@@H]1CCCO1	3404566	MGRYHLPTHQSTQK-JTQLQIEISA-N	337.426	1.715	50	40	EDGB	
C/C(=N\NC(=O)Cc1ccc2c(c1)OCCO2)c1ccc(O)cc1O	409361774	HXOWHAVMIOKZAZ-YBFXNURJSA-N	342.351	1.952	50	40	EDGB	
C[C@H]1C[C@H]1C(=O)OCC(=O)NNC(=O)COc1ccc(Cl)cc1	5693918	YQGCQIITIUCZSB-JOYOIKCWSA-N	340.763	1.065	50	40	EDGB	
CCc1ccc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1	5634042	KMBYJMPBOJMNJP-INIZCTEOSA-N	326.352	1.850	50	40	EDGB	
COc1cccc(/C=N\NC(=O)c2ccco2)c1O[C@@H](C)C(=O)O	409234046	YEAXVEFQVOXIRM-HLGUWXJESA-N	332.312	1.904	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1	15935725	HGFRAPPHCKLKIR-UHFFFAOYSA-N	339.399	1.463	50	40	EDGB	
Cc1cc(C)c(NCC(=O)NNC(=O)c2ccc[nH]c2=O)c(C)c1	12562822	WDAFOXAOGOSZSC-UHFFFAOYSA-N	328.372	1.173	50	40	EDGB	
Cc1ccc(C(=O)NCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1	27771615	DQPURJUNELUDEK-UHFFFAOYSA-N	345.786	1.839	50	40	EDGB	
N#Cc1ccc(C(=O)N/N=C/c2ccccc2OCC(=O)O)c(F)c1	4524050	WKIGVLFBQPAOMC-AWQFTUOYSA-N	341.298	1.925	50	40	EDGB	
CCOC(=O)NNC(=O)C[C@](O)(c1nc(C)cs1)C(F)(F)F	67286952	LWDGXJUCRFCAAB-JTQLQIEISA-N	341.311	1.369	50	40	EDGB	
COC(=O)[C@@H]1[C@H]2[C@@H]1[C@H](Br)C(=O)N2C(=O)OC(C)(C)C	37263102	IDBRBQSVIDEUTJ-DKXJUACHSA-N	334.166	1.315	50	40	EDGB	
COc1cc(/C=N/NC(=O)c2ccccn2)cc(OC)c1OC(C)=O	381441	RLGXXPRZCWGHHW-VXLYETTFSA-N	343.339	1.788	50	40	EDGB	
Cn1c(CC(=O)NNC(=O)c2ccc(Cl)nc2)nc2ccccc21	3459891	QPRILDPJZRNSFG-UHFFFAOYSA-N	343.774	1.625	50	40	EDGB	
Cc1ccc(/C=N/NC(=O)CNC(=O)COc2ccc(Cl)cc2)o1	4086420	BNIGCPJKAWAOHM-UFWORHAWSA-N	349.774	1.887	50	40	EDGB	
COc1ccc(C(=O)NC(=S)NNC(=O)c2ccccc2C)cc1	2135582	DYGBQOVSLDNOOJ-UHFFFAOYSA-N	343.408	1.953	50	40	EDGB	
COC(=O)c1ccc(N/N=C2/C(=O)N(C)C(=O)C(C#N)=C2C)cc1	101132638	LIUHUIHWKNJOIG-CPNJWEJPSA-N	326.312	1.080	50	40	EDGB	
Cc1ccccc1OCCN1C(=O)/C(=N\NC(N)=O)c2ccccc21	46084926	GHHDSLBOQAHDBV-SILNSSARSA-N	338.367	1.793	50	40	EDGB	
COC(=O)c1ccc(N/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)cc1	5333485	SOKIGMAWUYGGDN-ZROIWOOFSA-N	325.324	1.608	50	40	EDGB	
O=S(=O)(Nc1ccccc1-n1cnnn1)[C@@H]1CCCC[C@H]1Cl	65553935	ZWMBCEURGNNNKZ-ZWNOBZJWSA-N	341.824	1.954	50	40	EDGB	
NC(=O)Cn1cc(/C=N\NC(=O)c2cccs2)c2ccccc21	34909621	KFIGAPREVMQPGB-LSCVHKIXSA-N	326.381	1.952	50	40	EDGB	
O=C(NN1C(=O)[C@H](Cl)[C@H]1c1cccc(O)c1)c1ccccc1O	1633525	WOBGAHDETZNABX-ZIAGYGMSSA-N	332.743	1.934	50	40	EDGB	
COc1c(O)cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1[N+](=O)[O-]	8783196	PKSSFHAAELUZOO-LBPRGKRZSA-N	343.299	1.559	50	40	EDGB	
COCc1n[nH]c2c1[C@H](c1ccc(N(C)C)cc1)C(C#N)=C(N)O2	5817836	OXKYUFXEMROQBT-CQSZACIVSA-N	325.372	1.840	50	40	EDGB	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)Nc1ccc(C)cc12	51726	LYZJAQSJINKGEC-KRWDZBQOSA-N	325.324	1.356	50	40	EDGB	
CC(=O)N[C@H](CSc1cc(C)nc2ccc(F)cc12)C(=O)NN	20719775	YMZVVZWUMVVJRH-CYBMUJFWSA-N	336.392	1.269	50	40	EDGB	
COc1ccc(S(=O)(=O)NNC(=O)Nc2ccc(F)cc2)cc1	380147	MPFHXUAGTIQWOS-UHFFFAOYSA-N	339.348	1.849	50	40	EDGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(O)cc2)cc1	7812991	XUAWNDMVBQWHNC-YBFXNURJSA-N	327.340	1.167	50	40	EDGB	
Cc1cc2c(c(=O)n1C)[C@H](c1ccc([N+](=O)[O-])o1)C(C#N)=C(N)O2	2347544	MAHOLAFKIFBJCJ-LBPRGKRZSA-N	328.284	1.413	50	40	EDGB	
CCN(CC)c1ccc(C(=O)NNC(=O)c2ccc[n+]([O-])c2)cc1	8727440	KARYJUUDRNTSOT-UHFFFAOYSA-N	328.372	1.241	50	40	EDGB	
Cc1cc(C)nc(NNC(=O)[C@H]2CCCN(C(=O)c3ccoc3)C2)n1	30625349	PSYRXFYUWYGBTH-ZDUSSCGKSA-N	343.387	1.682	50	40	EDGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(O)c(C(=O)O)c1	16693876	PPCJQWZKYWBZEA-GHXNOFRVSA-N	327.296	1.225	50	40	EDGB	
C=CCOc1ccc(/C=N/NC(=O)CC(=O)NCC(C)C)cc1OC	3658241	NIHBHJJHLAQHDV-UDWIEESQSA-N	347.415	1.872	50	40	EDGB	
O=C(NNC(=O)[C@H]1CC=CC[C@@H]1C(=O)O)c1cccc([N+](=O)[O-])c1	372920	CAAFBCSMAXUICZ-RYUDHWBXSA-N	333.300	1.023	50	40	EDGB	
NNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1cccs1	2209184	BSLILQRRYBPWOQ-FLIBITNWSA-N	332.341	1.417	50	40	EDGB	
O=C1NC[C@@H](c2ccccc2)[C@@H]1C(=O)N/N=C/c1ccc([N+](=O)[O-])o1	1005072	PLNNXJWQHDXJCI-OFUMQGSTSA-N	342.311	1.168	50	40	EDGB	
O=C(CC(=O)N/N=C\c1ccc(C(=O)O)cc1)NCc1ccccc1	59444827	PVPYJAXAELEJSC-NDENLUEZSA-N	339.351	1.541	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)Cn2ccc(C(F)(F)F)n2)cc1	15903713	BALWYFHEYPWYFQ-UHFFFAOYSA-N	326.278	1.672	50	40	EDGB	
CN1C(=O)/C(=N\NC(=O)COc2ccccc2C#N)c2ccccc21	5005881	ODZYEQOMAMBMRG-FXBPSFAMSA-N	334.335	1.434	50	40	EDGB	
C[C@@H](NC(=O)c1ccco1)C(=O)N/N=c1/sc2ccccc2n1C	104924101	KNPWRDBMUDOOEI-BTLOXNNWSA-N	344.396	1.583	50	40	EDGB	
O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccccc1	7881808	MXGKGXPFMHBWED-INIZCTEOSA-N	337.379	1.496	50	40	EDGB	
COc1ccc(NC(=O)C(=O)NN=C2CCN(C)CC2)cc1Cl	58176935	KNZRFXNEBASOJD-UHFFFAOYSA-N	338.795	1.485	50	40	EDGB	
Cc1noc(C)c1CCC(=O)NNC(=O)CCc1c(C)noc1C	44980650	PLIQWVUPDDDKQW-UHFFFAOYSA-N	334.376	1.609	50	40	EDGB	
Cn1nc(C(=O)NNC(=O)CC2CCCC2)c2ccccc2c1=O	12999638	CWIACOCRSQBQLW-UHFFFAOYSA-N	328.372	1.275	50	40	EDGB	
N#C/C(=C\c1ccccn1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	6403041	GISVDRHHTNIWLS-PKNBQFBNSA-N	328.353	1.275	50	40	EDGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1OCC(N)=O	33721661	OUXQMCZCDJUELU-JYRVWZFOSA-N	343.383	1.525	50	40	EDGB	
O=C(N/N=C\C=C\c1ccco1)C(=O)N/N=C/C=C/c1ccco1	16430080	XDVIARJIBOIXOW-PCGJNYKXSA-N	326.312	1.803	50	40	EDGB	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc2[nH]cnc2c1	24296171	DBLBMBCAWMAHHM-SNVBAGLBSA-N	342.330	1.931	50	40	EDGB	
O=C(O)c1ccccc1C(=O)NNC(=O)c1ccccc1C(=O)O	1596899	HEKGZWWZBBQCOB-UHFFFAOYSA-N	328.280	1.158	50	40	EDGB	in-vitro
O=C(NNC(=S)NC(=O)c1ccc(Cl)cc1)c1ccncc1	3055064	PPQQFBADFJVNJQ-UHFFFAOYSA-N	334.788	1.684	50	40	EDGB	
O=C(N[C@@H](CO)C(=O)N/N=C/c1ccccc1)OCc1ccccc1	3082087	UEJUDMXRZCOLDZ-ZVCOJXFSSA-N	341.367	1.424	50	40	EDGB	
COCCCNC(=O)CC(=O)N/N=C/c1c(Cl)cccc1Cl	59459638	JLMFSZOECNWOMJ-GIJQJNRQSA-N	346.214	1.986	50	40	EDGB	
CS(=O)(=O)Cc1cc(F)ccc1NC(=O)NNC(=O)C1CCC1	95467141	ANLAMYSNNDYDCW-UHFFFAOYSA-N	343.380	1.323	50	40	EDGB	
COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(N(C)C)cc2)c1	3328080	ZGTATSQGTDPZLT-UHFFFAOYSA-N	343.383	1.845	50	40	EDGB	
CN(NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1	8357851	VCIROFXTDJMIBX-UHFFFAOYSA-N	333.413	1.718	50	40	EDGB	
O=C(N/N=C\c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1O	33296593	ZYMHRVOFMZQALO-APSNUPSMSA-N	329.268	1.793	50	40	EDGB	
O=C(Cc1ccc(Cl)cc1)NNC(=O)C(=O)NC1CCCCC1	2622242	TURXHNCLAGFXEU-UHFFFAOYSA-N	337.807	1.479	50	40	EDGB	
CC(C)(C)NC(=O)C(=O)NNC(=O)c1cccc(Br)c1	4713744	BSVIDOQTVIBBAC-UHFFFAOYSA-N	342.193	1.125	50	40	EDGB	
COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccc(O)cc1	58884755	ORHSPNDHDAJGFQ-VCHYOVAHSA-N	327.340	1.798	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccc(F)c(F)c1F)c1ccccc1F	7428887	AKJBCZNKXGECTI-UHFFFAOYSA-N	348.277	1.866	50	40	EDGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)NNC(=O)/C=C\C(=O)O)cc1	409383522	WFJNMDDFMUWTEU-HJWRWDBZSA-N	333.344	1.073	50	40	EDGB	
CCCOc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1OCC	408874469	CDXDVQVHHWUWAO-CPNJWEJPSA-N	349.431	1.656	50	40	EDGB	
Nc1nonc1C(=O)N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1	3206257	XPANSBLUEDGQCF-LZYBPNLTSA-N	341.287	1.115	50	40	EDGB	
COC(=O)[C@@H](CCC(=O)CCl)N1C(=O)[C@H]2CCCC[C@H]2C1=O	5014746	PDCJPQZLPKLUPB-GRYCIOLGSA-N	329.780	1.291	50	40	EDGB	
Cc1scc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c1C	102198203	KKPULQRIIHFBBH-DJIHRAIXSA-N	334.397	1.649	50	40	EDGB	
Cc1scc(C(=O)NNC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)c1C	4651730	KKPULQRIIHFBBH-DNIRFERGSA-N	334.397	1.649	50	40	EDGB	
CN(CC(=O)N/N=C/c1cccc(F)c1)S(=O)(=O)c1ccccc1	6544492	HDRWYGAJOXWGOV-WOJGMQOQSA-N	349.387	1.597	50	40	EDGB	
O=C(NN[C@H]1CC(=O)N(c2ccccc2F)C1=O)c1cccc(F)c1	100129559	HNKMHCINVJJBLC-ZDUSSCGKSA-N	345.305	1.531	50	40	EDGB	
CCOC(=O)Cc1[nH]nc2c1[C@H](Cc1ccccc1)C(C#N)=C(N)O2	13635934	FENTUVDIQGWLKL-GFCCVEGCSA-N	338.367	1.928	50	40	EDGB	
Cc1ccc(OCC(=O)N/N=C/c2cccc(OCC(=O)O)c2)cc1	4690542	LHMBGAWYWYZCGM-VXLYETTFSA-N	342.351	1.988	50	40	EDGB	
CC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2oc3ccccc3c2C)C1	8163116	PYZHDZVVLBZUOQ-CYBMUJFWSA-N	343.383	1.761	50	40	EDGB	
CCNC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(F)cc2)c1	408612222	UOLHZLCWSUKUNO-SRZZPIQSSA-N	343.358	1.991	50	40	EDGB	
C[C@]1(O)NC(S)=C(C#N)[C@H](c2cccnc2)[C@H]1[n+]1ccccc1	34349388	CTQJGYODRBWXND-ZMSDIMECSA-O	325.417	1.671	50	40	EDGB	
Cc1cccc(C(=O)NNS(=O)(=O)c2ccc(Cl)cc2)c1O	318781	NBOUDXNLFWYOGK-UHFFFAOYSA-N	340.788	1.977	50	40	EDGB	
CCOC(=O)NNS(=O)(=O)c1c(C)cc(NC(C)=O)cc1C	55555529	MZZOLQBKQACGFZ-UHFFFAOYSA-N	329.378	1.201	50	40	EDGB	
COc1cc(OC)c(C2C(C#N)=C(N)SC(N)=C2C#N)cc1OC	19624380	ARSZHHYBIDEZLP-UHFFFAOYSA-N	344.396	1.931	50	40	EDGB	
O=C(CCC(=O)Nc1ccccc1)NNC(=O)COc1ccccc1	2132140	KDWQMGQIQBHTHU-UHFFFAOYSA-N	341.367	1.632	50	40	EDGB	
C=CCN1C(=O)N=C(O)/C(=C(\C)NNC(=O)c2ccccc2O)C1=O	9357255	YUCPYUAIAOFVPP-XFXZXTDPSA-N	344.327	1.005	50	40	EDGB	
O=C(NCc1coc(-c2cccs2)n1)NNC(=O)[C@H]1CCCO1	84444947	SLVBLCNISZOOHR-SNVBAGLBSA-N	336.373	1.413	50	40	EDGB	
CCc1ccc2c(c1)/C(=N/NC(=O)C1CC1)C(=O)N2C1CSC1	223726135	ORLXNOGOMGTKEL-SDXDJHTJSA-N	329.425	1.941	50	40	EDGB	
O=C(NNC(=S)NC1CCCCC1)c1ccc(-n2cnnn2)cc1	419925	XSELPSUXCKXWCM-UHFFFAOYSA-N	345.432	1.104	50	40	EDGB	
Cc1cc(Cl)ccc1O[C@H](C)C(=O)NNC(=O)CCCC(=O)O	2110613	BRPRXFFTHKWXBU-SNVBAGLBSA-N	342.779	1.818	50	40	EDGB	
O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C1\C(=O)Nc2ccccc21	6000008	XQNPUKPZENBPQF-UHFFFAOYSA-N	340.295	1.446	50	40	EDGB	
CCCCN1C(=O)/C(=N\NC(=O)c2cc(C)n[nH]2)c2ccccc21	5883674	YJFDUKAEOWGLIT-HKWRFOASSA-N	325.372	1.999	50	40	EDGB	
COc1ccc([Si](C)(C)CNCCSS(=O)(=O)O)cc1	195770165	JCHZWSNAWBEQTH-UHFFFAOYSA-N	335.523	1.275	50	40	EDGB	
CS(=O)(=O)[C@@H](I)[C@@H](O)c1ccc(F)cc1	96519191	VCPWPOZXNDEZEM-DTWKUNHWSA-N	344.145	1.665	50	40	EDGB	
CS(=O)(=O)SCCNS(=O)(=O)c1ccc(F)c(F)c1F	1615055499	CAEQSVXFFRSWTQ-UHFFFAOYSA-N	349.377	1.075	50	40	EDGB	
Cc1nc(NC(=S)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)sc1C	575424720	WDGCKEFTEYZDDF-YUMQZZPRSA-N	339.895	1.451	50	40	EDGB	
COc1ccc(C(=O)NNC(=O)COC(=O)c2sccc2C)cc1	7060079	SZWRNEBJVRZXAE-UHFFFAOYSA-N	348.380	1.683	50	40	EDGB	
O=C(NC(=S)NNC(=O)c1cnccn1)c1ccc(Cl)cc1	2247292	NXXKPLQWXUBUGR-UHFFFAOYSA-N	335.776	1.079	50	40	EDGB	
O=C(NNC(=O)c1ccco1)c1ccc(=O)n(Cc2ccccc2)c1	16839242	WGTUMCLKSRBJFO-UHFFFAOYSA-N	337.335	1.564	50	40	EDGB	
CCCCCCC(=O)NN/C=C1\C(=O)NC(=O)N(CCCC)C1=O	5069435	AEPHPHRWKNEMJW-VAWYXSNFSA-N	338.408	1.340	50	40	EDGB	
O=C(N/N=C/c1ccncc1)c1c(O)c2cccc3c2n(c1=O)CC3	100822800	QIPYSOLQJNJJTI-KEBDBYFISA-N	334.335	1.422	50	40	EDGB	
CCOC(=O)C1(C(=O)OCC)[C@H](Cl)C(=O)N1c1ccccc1	1707412	DCDDZWCXKGHUFC-LLVKDONJSA-N	325.748	1.506	50	40	EDGB	
Cc1ccsc1C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12	9378044	ISIXJWKQMHMWHL-UHFFFAOYSA-N	328.353	1.368	50	40	EDGB	
COc1cccc(C(=O)N/N=C\c2cc([N+](=O)[O-])c(O)cc2O)c1	110131024	AWKYRVBXDZEIHH-PXNMLYILSA-N	331.284	1.779	50	40	EDGB	
Cc1ccccc1-c1nnn(CC(=O)N/N=C/c2ccccc2F)n1	408978667	AHYQGOVNNDVVRQ-VXLYETTFSA-N	338.346	1.938	50	40	EDGB	
Cc1ccc(O)c(/C=N/NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)c1	4578026	USAUYBQMCJBALV-ZDPZZTRWSA-N	337.379	1.681	50	40	EDGB	
COc1ccc(/C=N/NC(=O)[C@@H](C)NC(=O)c2ccccc2)cc1	1878961	YSZKDNKFRCUIST-KZKLBEMASA-N	325.368	1.964	50	40	EDGB	
O=C(CN1CCOCC1)N/N=C\c1cc(Cl)c(O)c(Cl)c1	28617768	ASMHIOYYLWMGOR-APSNUPSMSA-N	332.187	1.481	50	40	EDGB	
O=C(CCC(=O)N/N=C/c1ccc(O)cc1O)NCc1ccccc1	4616810	KEIYWTAFCGNALN-UDWIEESQSA-N	341.367	1.645	50	40	EDGB	
O=C(NNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccco1	7519753	DCUSOQSQJNKTLO-UHFFFAOYSA-N	338.341	1.064	50	40	EDGB	
COC(=O)/C(C#N)=C/c1c(Br)cc(C(=O)OC)n1C	84303566	WOGHMERECIXJAN-QPJJXVBHSA-N	327.134	1.654	50	40	EDGB	
O=C(COc1ccccc1)N/N=C/c1ccc(N2CCOCC2)o1	408994069	FLQRHCJBNFUPAX-LDADJPATSA-N	329.356	1.645	50	40	EDGB	
Cc1nn(C)c(C(=O)N2CCCC2)c1NC(=O)CBr	72220852	ODRKICTYUNGRHS-UHFFFAOYSA-N	329.198	1.298	50	40	EDGB	
Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cccc(B(O)O)c3)[nH]c2c1	584945428	QLVOGNQLJHTSMR-KRWDZBQOSA-N	349.199	1.528	50	40	EDGB	
COCCCNC1=C(C#N)C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)S1	20414017	UIRCPUJKISGVJE-AWEZNQCLSA-N	348.384	1.818	50	40	EDGB	
Cc1cc(O)cc(O)c1/C=N\NC(=O)[C@H]1COc2ccccc2O1	13880662	WAHGGSFCHHBQFB-SHZLZMIXSA-N	328.324	1.696	50	40	EDGB	
O=C1NCCC[C@H]1C(=O)N/N=C/c1cc(Br)ccc1O	5670507	KHMPLNXXEAAULJ-JYMRLUDQSA-N	340.177	1.131	50	40	EDGB	
O=C(NN[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O)c1ccccc1	18182017	LOUBKYOTQCDGRV-CQSZACIVSA-N	327.315	1.392	50	40	EDGB	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc(C)c1O	27020615	STUIZJGIASDQKG-WTWVRAIASA-N	334.397	1.219	50	40	EDGB	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccnc3)[C@@H]2C1	13510895	YKICMAHBHJDWAA-IAGOWNOFSA-N	330.395	1.827	50	40	EDGB	
C/C(=N\NC(=O)c1cc(O)c(O)c(O)c1)c1cccc([N+](=O)[O-])c1	13953264	VUOPCRNNBKCIKC-LZYBPNLTSA-N	331.284	1.866	50	40	EDGB	
COc1ccc(N2C(=O)C[C@H](NNC(=O)OC(C)(C)C)C2=O)cc1	97024737	IMLJRRUGGRNMSL-LBPRGKRZSA-N	335.360	1.356	50	40	EDGB	
COc1cc(I)cc(/C=N/NC(N)=O)c1O	2763990	OTCRVAGSPSSCRH-UUILKARUSA-N	335.101	1.008	50	40	EDGB	
NC1=N/C(=N\NC(=O)COc2ccccc2Cl)c2ccccc21	5731636	NIZIMHYVFVNNQS-UHFFFAOYSA-N	328.759	1.916	50	40	EDGB	
CCOC(=O)c1cccc(NC(=O)CCNC(=O)[C@H](C)Cl)c1	8733217	QWOMYEADHRFKPJ-JTQLQIEISA-N	326.780	1.935	50	40	EDGB	
CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NN)cc1	6146249	FNCAYMZIEQQNEY-UHFFFAOYSA-N	335.385	1.490	50	40	EDGB	
CN(c1ccc(C(=O)N/N=C/c2cccnc2)cc1)S(C)(=O)=O	409109919	NXODBUWXXABHIX-GZTJUZNOSA-N	332.385	1.241	50	40	EDGB	
O=C(NNS(=O)(=O)c1cccnc1OCC(F)F)C1CCCC1	585140367	CTKOJYCFDTZQHR-UHFFFAOYSA-N	349.359	1.225	50	40	EDGB	
COc1ccc(CCNC(=O)C(=O)NN=C2CCCC2)cc1OC	59515699	IVRWOTRBPDWYHF-UHFFFAOYSA-N	333.388	1.409	50	40	EDGB	
CCOc1ccc(Cl)cc1/C=N\NC(=O)Cc1nnc(N)s1	31849034	NWUJWLBDZZDCMX-APSNUPSMSA-N	339.808	1.865	50	40	EDGB	
Cc1ccc(S(=O)(=O)NNC(=O)c2sc(C)nc2C)cc1	224138326	AQQUPAZYTKXACZ-UHFFFAOYSA-N	325.415	1.692	50	40	EDGB	
C/C(N)=C(\C#N)C(=O)COC(=O)/C=C/c1ccc2c(c1)OCCO2	104435210	JZKXCOLMFJFXIO-CMSYKNKYSA-N	328.324	1.340	50	40	EDGB	
O=C(CN1CCOCC1)N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1	59246495	QAJHGJASTWKGHP-NVNXTCNLSA-N	326.740	1.031	50	40	EDGB	
CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)c1cccnc1	14139380	TWHBPROIVJYVTH-HNNXBMFYSA-N	346.431	1.564	50	40	EDGB	
O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccco1	3060625	KNOKKVZKZKXTKS-OVCLIPMQSA-N	341.776	1.362	50	40	EDGB	
CCn1c(C)nc2cc(C(=O)NNC(=S)N[C@@H](C)COC)ccc21	16211738	HOSQQHIZMADBKP-JTQLQIEISA-N	349.460	1.508	50	40	EDGB	
COc1cc(/C=N/NC(=O)[C@H](C)n2nnc3ccccc32)ccc1O	368634	NQILGDNITPLVSI-HPAYWCODSA-N	339.355	1.857	50	40	EDGB	
O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)[C@H](O)c1ccccc1	354734	ZVCPKUMKKCDRIQ-LJZSXMKHSA-N	343.295	1.507	50	40	EDGB	
Cn1cc([C@H]2C[C@H]2C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cn1	70012104	FKNCYDOLDVXLHT-WCVFOZRWSA-N	342.443	1.887	50	40	EDGB	
CCN1C(=O)/C(=C\NNC(=O)COc2ccccc2)SC1=S	19899427	ZAAITRLGZYAMOT-DHZHZOJOSA-N	337.426	1.408	50	40	EDGB	
CCOC(=O)NNC(=O)c1ccc(Cn2nnc3ccccc32)cc1	21772480	YEQDOIICJISLKY-UHFFFAOYSA-N	339.355	1.871	50	40	EDGB	
Cc1cc(C(=O)NNC(=O)Cc2n[nH]c(=O)c3ccccc23)c(C)o1	3411260	BEKFUOFKZCFPDZ-UHFFFAOYSA-N	340.339	1.137	50	40	EDGB	
N#CC1=C(SCC(N)=O)N[C@H](N)[C@H](C#N)[C@H]1c1ccccc1Cl	102680230	FROLKSMEZVGXGF-FZQKWOKYSA-N	347.831	1.405	50	40	EDGB	
O=C(Cn1nnc2ccccc21)NNC(=S)NC1CCCCC1	383360	IBPRMHMWTMPCPV-UHFFFAOYSA-N	332.433	1.259	50	40	EDGB	
O=C(NNC(=S)NC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	2690694	GBSKPTZPLQAXKO-UHFFFAOYSA-N	344.352	1.544	50	40	EDGB	
Cc1ccccc1N1C[C@H](C(=O)NNC(=O)c2ccccc2)CC1=O	7928163	YKQLUHCFNPXQMB-OAHLLOKOSA-N	337.379	1.809	50	40	EDGB	
CN(C)[C@](C)(C(=O)OC(=O)OCc1ccccc1)P(=O)(O)O	309664879	ORYUDASWMACSKV-ZDUSSCGKSA-N	331.261	1.322	50	40	EDGB	
N#CC(C#N)=C(N)[C@]1(C#N)[C@@H](c2ccccc2Cl)[C@]1(C#N)C(N)=O	85409141	HDZWJHMOVMGVLJ-UHOFOFEASA-N	336.742	1.202	50	40	EDGB	
O=C(CCl)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21	12504954	IZXSYNQHRPHPDO-UHFFFAOYSA-N	342.848	1.989	50	40	EDGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc1OC	7869807	UFTYEQZSUVLOQN-MBNTZHJCSA-N	333.388	1.625	50	40	EDGB	
O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1cccs1	52411071	AVNHVUDHCFWEHZ-LLVKDONJSA-N	329.381	1.562	50	40	EDGB	
O=C(NNC(=O)[C@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1C2)c1ccccc1Cl	23382763	QRMZMFMPFWCDLO-ZFWZSOMGSA-N	334.759	1.624	50	40	EDGB	
COc1cccc(C(=O)N/N=C2/NC[C@H](CBr)S2)c1	5729848	ISCQKAUPUCVMHB-JTQLQIEISA-N	344.234	1.796	50	40	EDGB	
Cc1ccc(-c2nc(C(=O)NNc3nnc(C)c(=O)[nH]3)cs2)cc1	11335481	DMIBSTNRCFWCKE-UHFFFAOYSA-N	342.384	1.662	50	40	EDGB	
CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)c2ccccc21	8026522	WIEBFSJGENFGLA-LJQANCHMSA-N	348.362	1.422	50	40	EDGB	
C[C@@]1(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)CC1(Cl)Cl	68970116	MASIKPDNFGHARY-GWCFXTLKSA-N	345.182	1.558	50	40	EDGB	
COc1cc(Cl)c(/C=N/NC(=O)CC2(C)OCCO2)cc1OC	408586017	AJTRMUVXDDFMFR-RQZCQDPDSA-N	342.779	1.960	50	40	EDGB	
COc1ccc(C(=O)Nc2ccc(CC(=O)NN)cc2)cc1OC	225315779	BPOSKTYYJHUKQW-UHFFFAOYSA-N	329.356	1.489	50	40	EDGB	
Cc1nn(C)c(F)c1/C=N/NC(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-]	252510324	ZHHSLIMCQFFMDX-UWOUAGFBSA-N	349.322	1.693	50	40	EDGB	
CC(=O)NNC(=O)COC(=O)c1ccccc1Nc1ccccc1	5710422	KLJFTCVNRWYIAX-UHFFFAOYSA-N	327.340	1.754	50	40	EDGB	
C/C(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)=N\NC(=O)CC#N	100059409	JERGBZRTANBIFL-CAOOACKPSA-N	337.723	1.983	50	40	EDGB	
CCOc1cccc(C(=O)NNC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)c1	4651719	PELCXBGISVDAOO-BVIHXZOGSA-N	344.367	1.369	50	40	EDGB	
CCCCCCN1C(=O)NC(=O)/C(=C\NNC(=O)CCCC)C1=O	4851316	ZEFLZAKDQXIXQU-VAWYXSNFSA-N	338.408	1.340	50	40	EDGB	
O=C1OC(=O)[C@]2(Br)[C@H]3C=C[C@H](CC3)[C@@]12Br	104184009	ZUVPNXWECWMJLW-MLTZYSBQSA-N	335.979	1.933	50	40	EDGB	
CC(C)n1nc(C(=O)NNC(=O)[C@@H]2C[C@@H]2C)c2ccccc2c1=O	14240094	YQFFTYDRKLOVLI-GXFFZTMASA-N	328.372	1.394	50	40	EDGB	
Cc1occc1C(=O)NNC(=O)CCN1C(=O)COc2ccccc21	8191414	OHXUKFPRBUECJY-UHFFFAOYSA-N	343.339	1.165	50	40	EDGB	
Cc1nc(NC(=S)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)sc1C	575424717	WDGCKEFTEYZDDF-HTQZYQBOSA-N	339.895	1.451	50	40	EDGB	
[O-][n+]1occ(-c2co[n+]([O-])c2-c2co[n+]([O-])c2CCl)c1CCl	5567044	GJKYVCBRLRYABY-UHFFFAOYSA-N	348.098	1.177	50	40	EDGB	
CC(=O)N[C@@H](CC(=O)NNC(=O)c1cccnc1)c1ccc(C)cc1	11241091	ADYRQJDJWDYLBZ-INIZCTEOSA-N	340.383	1.419	50	40	EDGB	
CN(NC(=O)COc1ccccc1)C1=NS(=O)(=O)c2ccccc21	33991	SLSKJGYNIJRFDV-UHFFFAOYSA-N	345.380	1.178	50	40	EDGB	
Cc1ccc(C(=O)NNC(=O)N2CCN(Cc3ccco3)CC2)cc1	57350582	DQGFSLJYZHGEEV-UHFFFAOYSA-N	342.399	1.760	50	40	EDGB	
COc1cc(C)c(S(=O)(=O)NNC(=O)CC(C)C)cc1OC	26533166	LMXGWGKRTILCOZ-UHFFFAOYSA-N	330.406	1.368	50	40	EDGB	
COC(=O)CCC(=O)NNC(=O)C(c1ccccc1)c1ccccc1	1895046	DANMIXGVNOHPCU-UHFFFAOYSA-N	340.379	1.919	50	40	EDGB	
CCOC(=O)c1ccc(N2N=C(N)[C@H](Br)C2=O)cc1	100998418	GCRSMQPFPGNSPR-VIFPVBQESA-N	326.150	1.246	50	40	EDGB	
O=C(CN1CCOCC1)N/N=C\c1ccc(-c2ccc(F)cc2)o1	59246488	YGMRUAKPZUNQFN-ODLFYWEKSA-N	331.347	1.868	50	40	EDGB	
CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NNC(=O)c1ccccc1C	65564559	JYRFCYSOYDQMKC-SMDDNHRTSA-N	349.456	1.704	50	40	EDGB	
CCNC(=O)NNC(=O)/C=C/c1c(C)nn(-c2ccccc2)c1C	65190620	MHBISFKQYUEETR-ZHACJKMWSA-N	327.388	1.853	50	40	EDGB	
C/C(N)=C(\C#N)C(=O)COC(=O)COc1cccc2c1OC(C)(C)C2	104695117	JOMJEVMRSFLXBC-QBFSEMIESA-N	344.367	1.647	50	40	EDGB	
CC(C)(C)NC(=S)NNC(=O)CSc1ccc([N+](=O)[O-])cc1	8301902	OSUUHHCIUHIXKB-UHFFFAOYSA-N	342.446	1.981	50	40	EDGB	
CCCCC(=O)NN/C=C1\C(=O)NC(=O)N(c2cccc(C)c2)C1=O	4856217	PTTDNIHQRHHFFS-JLHYYAGUSA-N	344.371	1.273	50	40	EDGB	
NNC(=O)COc1c(I)ccc2cccnc12	225391952	GHXPNSPBZXQVRW-UHFFFAOYSA-N	343.124	1.208	50	40	EDGB	
CS(=O)(=O)[C@@H](I)[C@@H](O)c1ccccc1	96519151	ITZYFQVWMVYZAF-DTWKUNHWSA-N	326.155	1.526	50	40	EDGB	
CC[N+](CC)=C1S[C@@H]2CS(=O)(=O)[C@@H](Br)[C@@H]2S1	5247807	FVJBSQVZXZYAQQ-BWZBUEFSSA-N	345.329	1.761	50	40	EDGB	
O=C(NN[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O)c1cccs1	107314	UPDGVHLBKRCCFQ-NSHDSACASA-N	349.799	1.968	50	40	EDGB	
COCCCNC1=C(C#N)C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)S1	20414015	UIRCPUJKISGVJE-CQSZACIVSA-N	348.384	1.818	50	40	EDGB	
Cc1c(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)cc(C#N)n1C	7429169	ZBTQRDFPJFYLPJ-VXLYETTFSA-N	348.370	1.009	50	40	EDGB	
O=C(NN[C@H]1CC(=O)N(CCc2ccccc2)C1=O)c1ccccc1	18123073	CCRLITLTEFNCIU-INIZCTEOSA-N	337.379	1.291	50	40	EDGB	
COc1cccc(/C=N/NC(=O)C(=O)NC2CCCCCC2)c1OC	409007451	WMYXAFAPCCIDJA-XDHOZWIPSA-N	347.415	1.993	50	40	EDGB	
COc1cc(C(=O)NNC(=O)c2cccn2C)ccc1OC(F)F	61224723	JHEIJKMROIIDIQ-UHFFFAOYSA-N	339.298	1.710	50	40	EDGB	
C=CCSC1=C(C#N)[C@H](c2cccnc2)[C@H](C(=O)OC)C(=O)N1	14671751	NTPBEJZQBUAQBN-STQMWFEESA-N	329.381	1.739	50	40	EDGB	
COc1cc(/C=N/NC(=O)CC#N)c(OC)cc1Br	5526550	PLRRMQZGOKRAJI-VIZOYTHASA-N	326.150	1.830	50	40	EDGB	
Cc1nn(CC(=O)NNC(=O)c2ccccc2F)c(C)c1[N+](=O)[O-]	22986358	CFQKDONPJXBECK-UHFFFAOYSA-N	335.295	1.008	50	40	EDGB	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCCN1CCOCC1	24303039	OGSYSNYDYROFJZ-NTCAYCPXSA-N	344.371	1.340	50	40	EDGB	
CNC(=O)/C(C#N)=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1	5525881	RIUAEBAMIKQMOR-FLIBITNWSA-N	331.353	1.247	50	40	EDGB	
CCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccccc2O)s1	408732773	YRWOVBIOIYJOOG-OVCLIPMQSA-N	333.373	1.285	50	40	EDGB	
COC(=O)CSCC[Si]12O[C@@H](C)CN(C[C@H](C)O1)C[C@@H](C)O2	195802120	CYRVWXPKWRVJML-RWMBFGLXSA-N	349.525	1.376	50	40	EDGB	
O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc(F)s1	252499894	SIEVEKZDJJESSF-LZYBPNLTSA-N	330.348	1.691	50	40	EDGB	
CCn1c(C)nc2cc(C(=O)NNC(=S)NCCCOC)ccc21	16211741	CPDVRESJQLZNDZ-UHFFFAOYSA-N	349.460	1.510	50	40	EDGB	
O=C(NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1C2)c1ccccc1Cl	23382759	QRMZMFMPFWCDLO-FQPOAREZSA-N	334.759	1.624	50	40	EDGB	
COc1ccc(C(=O)N/N=C/c2ccc(N3CCOCC3)o2)cc1	59392406	SWMLTXOXXSUJCQ-LDADJPATSA-N	329.356	1.889	50	40	EDGB	
Cc1ccc(OCCN2C(=O)/C(=N\NC(N)=O)c3ccccc32)cc1	46084800	WENXLHKFUAMMQF-SILNSSARSA-N	338.367	1.793	50	40	EDGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccco2)S(C)(=O)=O)c1	20060319	GANZWBFHHPFVGD-MHWRWJLKSA-N	335.385	1.504	50	40	EDGB	
N#C/C(=C\c1ccccc1OCC(N)=O)C(=O)NCc1ccccc1	409219371	MBLVDOAYGHWRNX-MHWRWJLKSA-N	335.363	1.774	50	40	EDGB	
COc1ccc(C(=O)NNC(=O)c2cccc(NC(C)=O)c2)cc1	12680432	HHAFVTHJLNVYNA-UHFFFAOYSA-N	327.340	1.728	50	40	EDGB	
CN(C)c1ccc(/C=C(\NC(=O)c2cccc(F)c2)C(=O)NN)cc1	12414009	JNTUUGLVOWBIDJ-YBEGLDIGSA-N	342.374	1.653	50	40	EDGB	
O=C(COc1cccc([N+](=O)[O-])c1)N/N=C1\C(=O)Nc2ccccc21	5006044	SOBMKVLZNDJKDC-UHFFFAOYSA-N	340.295	1.446	50	40	EDGB	
CC[C@H](C)N1C(=O)/C(=C/NNC(=O)c2ccccc2)C(O)=NC1=S	13749696	BSESYXSQMCBDBR-LZAIMSLLSA-N	346.412	1.687	50	40	EDGB	
O=C(NNC(=O)c1cn[nH]n1)c1ccc(OCc2ccccc2)cc1	80156922	HOUKYQJQZAGEIC-UHFFFAOYSA-N	337.339	1.459	50	40	EDGB	
COc1ccccc1/C=C/C(=O)NCC(=O)N/N=C/c1ccc(C)o1	3108801	CKWMXDYRHWLWDF-OCJYSZNUSA-N	341.367	1.876	50	40	EDGB	
Cc1cccc(C)c1OCC(=O)NNC(=O)Cc1c(C)nn(C)c1C	10053253	VCUXSZUFSZROEU-UHFFFAOYSA-N	344.415	1.423	50	40	EDGB	
CN1C(=O)/C(=N/NC(=O)c2ccccc2O)c2cc([N+](=O)[O-])ccc21	104813017	ZTHMTVUPNQXZPH-SAPNQHFASA-N	340.295	1.411	50	40	EDGB	
CC(C)Oc1ccc(C(=O)NNC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1	13254437	QXGFXIPHXXKVDR-HUUCEWRRSA-N	346.383	1.902	50	40	EDGB	
O=C(N/N=C\c1ccc(S(=O)(=O)O)o1)c1ccc(Cl)cc1	4502156	KBNBKZFPEWBTNJ-AUWJEWJLSA-N	328.733	1.944	50	40	EDGB	
N#CCOc1ccccc1/C=N/NC(=O)c1cc([N+](=O)[O-])ccc1O	409160899	KAFBJNFEQGBCCJ-VCHYOVAHSA-N	340.295	1.967	50	40	EDGB	
COc1ccc(/C=N\NC(=O)CC(=O)NCc2ccccc2)cc1	408751789	BRURPWBSNDAEAW-MOSHPQCFSA-N	325.368	1.852	50	40	EDGB	
O=C(NNC(=O)c1cccs1)c1csc(N2CCOCC2)n1	12803204	XZIZDWQHJOWCLP-UHFFFAOYSA-N	338.414	1.116	50	40	EDGB	
C/C(=N\NC(=O)Cn1nc(C)cc1C)[C@H]1Cc2ccccc2C(=O)O1	54280972	QAADHUGGQUEHIB-CXDFQFJYSA-N	340.383	1.774	50	40	EDGB	
C[C@H](Oc1ccc(-c2nccc(-c3ccccn3)n2)cc1)C(=O)NN	1405719	SPFDZMHEZXVGTG-LBPRGKRZSA-N	335.367	1.963	50	40	EDGB	
CCn1nc(C(=O)NNC(=O)c2ccsc2)c2ccccc2c1=O	12849192	UKTBCRAQIHILEB-UHFFFAOYSA-N	342.380	1.553	50	40	EDGB	
N#C/C(=C/c1cc(Cl)c(O)c(Br)c1)C(=O)NC(N)=O	409249033	MMDIHBKCGHLQAE-BHQIHCQQSA-N	344.552	1.910	50	40	EDGB	
CCOc1ccc(-c2ncc(C(=O)NN)c(N3CCCC3)n2)cc1	223460005	ZTYPTYSVJNVOOL-UHFFFAOYSA-N	327.388	1.746	50	40	EDGB	
CN(N=O)C1=N[C@](C)(CCl)[P@](=O)(NNc2ncccn2)O1	5758733	VSWXYLOYWRETPR-JLTPVHFHSA-N	333.676	1.541	50	40	EDGB	
O=C(NN[C@@H]1CC(=O)N(c2ccccc2F)C1=O)c1cccc(F)c1	56310	HNKMHCINVJJBLC-CYBMUJFWSA-N	345.305	1.531	50	40	EDGB	
CN(C)CN1C(=O)/C(=N\NC(=O)Cc2ccccc2)c2ccccc21	20146061	ISBFOBCHDCTHMG-UZYVYHOESA-N	336.395	1.615	50	40	EDGB	
C[C@]1(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)CC1(Cl)Cl	100557777	ZBSQHCMLPOZMBH-KAVPAVLDSA-N	347.198	1.241	50	40	EDGB